(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

C23H29NO — CID 155036156

IUPAC(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(OCc4ccccc4)cc31)[C@@H]2N
InChIInChI=1S/C23H29NO/c1-23-13-7-3-6-10-19(22(23)24)14-18-11-12-20(15-21(18)23)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,15,19,22H,3,6-7,10,13-14,16,24H2,1H3/t19-,22-,23+/m0/s1
InChIKeyXKEUXZJGJIXYDX-AJSBUHFISA-N
MW335.49 g/mol
LogP4.99
Rot. Bonds3

About (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (PubChem CID 155036156) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.

Molecular Properties

Compound Name(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
PubChem CID155036156
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(OCc4ccccc4)cc31)[C@@H]2N
InChIInChI=1S/C23H29NO/c1-23-13-7-3-6-10-19(22(23)24)14-18-11-12-20(15-21(18)23)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,15,19,22H,3,6-7,10,13-14,16,24H2,1H3/t19-,22-,23+/m0/s1
InChIKeyXKEUXZJGJIXYDX-AJSBUHFISA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,9S,15S)-1-methyl-4-(propan-2-yloxymethoxy)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 138672240
(1R,9S,16S)-1-methyl-4-(propan-2-yloxymethoxy)tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trien-16-amine
CID 142351095
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxymethyl 2,2-dimethylpropanoate
CID 138672555
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
(1R,9S,15S)-4-(2-methoxypropan-2-yloxy)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 138672478
1-O-[(1R,9S,16S)-16-amino-1-methyl-4-tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trienyl] 6-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] hexanedioate
CID 139492319
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
2-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 138672954
benzyl N-[(1R,9S,15S)-1-methyl-4-(3-methylbutoxymethoxy)-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]carbamate;1-(chloromethoxy)-3-methylbutane;3-methylbutan-1-ol;(1R,9S,15S)-1-methyl-4-(3-methylbutoxymethoxy)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 160700725
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 3-(oxetan-3-yl)propanoate
CID 157393240
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 138671915

Frequently Asked Questions

What is the IUPAC name of (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The IUPAC name of (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (CID 155036156) is (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.
What is the SMILES notation for (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The canonical SMILES for (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is C[C@@]12CCCCC[C@@H](Cc3ccc(OCc4ccccc4)cc31)[C@@H]2N.
What is the InChIKey of (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The InChIKey is XKEUXZJGJIXYDX-AJSBUHFISA-N. The full InChI is InChI=1S/C23H29NO/c1-23-13-7-3-6-10-19(22(23)24)14-18-11-12-20(15-21(18)23)25-16-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,15,19,22H,3,6-7,10,13-14,16,24H2,1H3/t19-,22-,23+/m0/s1.
What are the key properties of (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine has a molecular weight of 335.49 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is sourced from PubChem (CID 155036156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).