(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol

C17H25NO — CID 68909455

IUPAC(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol
SMILESCN(CCCc1ccccc1)[C@H]1CC2CC[C@@H]1C2O
InChIInChI=1S/C17H25NO/c1-18(11-5-8-13-6-3-2-4-7-13)16-12-14-9-10-15(16)17(14)19/h2-4,6-7,14-17,19H,5,8-12H2,1H3/t14?,15-,16-,17?/m0/s1
InChIKeyZCHDLFOJODUBCJ-YZUHTNEWSA-N
MW259.39 g/mol
LogP2.71
Rot. Bonds5

About (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol

(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol (PubChem CID 68909455) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol
PubChem CID68909455
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol
SMILESCN(CCCc1ccccc1)[C@H]1CC2CC[C@@H]1C2O
InChIInChI=1S/C17H25NO/c1-18(11-5-8-13-6-3-2-4-7-13)16-12-14-9-10-15(16)17(14)19/h2-4,6-7,14-17,19H,5,8-12H2,1H3/t14?,15-,16-,17?/m0/s1
InChIKeyZCHDLFOJODUBCJ-YZUHTNEWSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[methyl(3-phenylpropyl)amino]-7-bicyclo[2.2.1]heptanyl] 9-hydroxyxanthene-9-carboxylate
CID 71044095
(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 125469630
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
2-bromo-N-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-5-phenylpentanamide
CID 164696529
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine
CID 58580018
1-[methyl(3-phenylpropyl)amino]ethanol
CID 67730739
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol (CID 68909455) is (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol is CN(CCCc1ccccc1)[C@H]1CC2CC[C@@H]1C2O.
What is the InChIKey of (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol?
The InChIKey is ZCHDLFOJODUBCJ-YZUHTNEWSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(11-5-8-13-6-3-2-4-7-13)16-12-14-9-10-15(16)17(14)19/h2-4,6-7,14-17,19H,5,8-12H2,1H3/t14?,15-,16-,17?/m0/s1.
What are the key properties of (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol?
(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol has a molecular weight of 259.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 68909455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).