(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol

C19H29NO — CID 102613855

IUPAC(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCC2CCCCC2C1
InChIInChI=1S/C19H29NO/c21-14-19(12-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)13-18/h1-3,6-7,16-21H,4-5,8-14H2/t16?,17?,18?,19-/m0/s1
InChIKeyAXUPWYKRZPVFSG-LFVBFMBRSA-N
MW287.45 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol

(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613855) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
PubChem CID102613855
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCC2CCCCC2C1
InChIInChI=1S/C19H29NO/c21-14-19(12-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)13-18/h1-3,6-7,16-21H,4-5,8-14H2/t16?,17?,18?,19-/m0/s1
InChIKeyAXUPWYKRZPVFSG-LFVBFMBRSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-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

(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propane-1,3-diol
CID 65315355
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
CID 61247146
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
2-(2-adamantylamino)-3-phenylpropan-1-ol
CID 63260809
(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 104926144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol (CID 102613855) is (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)NC1CCC2CCCCC2C1.
What is the InChIKey of (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol?
The InChIKey is AXUPWYKRZPVFSG-LFVBFMBRSA-N. The full InChI is InChI=1S/C19H29NO/c21-14-19(12-15-6-2-1-3-7-15)20-18-11-10-16-8-4-5-9-17(16)13-18/h1-3,6-7,16-21H,4-5,8-14H2/t16?,17?,18?,19-/m0/s1.
What are the key properties of (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).