(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

C24H31NO — CID 166876938

IUPAC(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESCOc1ccc2c(c1)[C@H]1CCCCC[C@@H](C2)[C@@H]1NCCc1ccccc1
InChIInChI=1S/C24H31NO/c1-26-21-13-12-19-16-20-10-6-3-7-11-22(23(19)17-21)24(20)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,17,20,22,24-25H,3,6-7,10-11,14-16H2,1H3/t20-,22+,24-/m0/s1
InChIKeyMGMGTGNETOHJHN-FJIJXJHWSA-N
MW349.52 g/mol
LogP5.12
Rot. Bonds5

About (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (PubChem CID 166876938) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.

Molecular Properties

Compound Name(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
PubChem CID166876938
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESCOc1ccc2c(c1)[C@H]1CCCCC[C@@H](C2)[C@@H]1NCCc1ccccc1
InChIInChI=1S/C24H31NO/c1-26-21-13-12-19-16-20-10-6-3-7-11-22(23(19)17-21)24(20)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,17,20,22,24-25H,3,6-7,10-11,14-16H2,1H3/t20-,22+,24-/m0/s1
InChIKeyMGMGTGNETOHJHN-FJIJXJHWSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(1S,9S,17S)-4-methoxy-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
CID 10106525
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 14039984
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618

Frequently Asked Questions

What is the IUPAC name of (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The IUPAC name of (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (CID 166876938) is (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.
What is the SMILES notation for (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The canonical SMILES for (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is COc1ccc2c(c1)[C@H]1CCCCC[C@@H](C2)[C@@H]1NCCc1ccccc1.
What is the InChIKey of (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The InChIKey is MGMGTGNETOHJHN-FJIJXJHWSA-N. The full InChI is InChI=1S/C24H31NO/c1-26-21-13-12-19-16-20-10-6-3-7-11-22(23(19)17-21)24(20)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,17,20,22,24-25H,3,6-7,10-11,14-16H2,1H3/t20-,22+,24-/m0/s1.
What are the key properties of (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine has a molecular weight of 349.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is sourced from PubChem (CID 166876938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).