1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

C16H26N2O — CID 81360774

IUPAC1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc([C@@H](C)NCC(O)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-15(10-13)14(2)17-11-16(19)12-18-8-3-4-9-18/h5-7,10,14,16-17,19H,3-4,8-9,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyFEXUQXVCOFMQOU-IURRXHLWSA-N
MW262.40 g/mol
LogP2.10
Rot. Bonds6

About 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 81360774) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID81360774
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc([C@@H](C)NCC(O)CN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-15(10-13)14(2)17-11-16(19)12-18-8-3-4-9-18/h5-7,10,14,16-17,19H,3-4,8-9,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyFEXUQXVCOFMQOU-IURRXHLWSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-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

1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 97229499
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 81360774) is 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1cccc([C@@H](C)NCC(O)CN2CCCC2)c1.
What is the InChIKey of 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is FEXUQXVCOFMQOU-IURRXHLWSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-5-7-15(10-13)14(2)17-11-16(19)12-18-8-3-4-9-18/h5-7,10,14,16-17,19H,3-4,8-9,11-12H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 81360774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).