(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol

C13H19NO — CID 93252683

IUPAC(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
SMILESC[C@@H](CO)NC1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-13-7-12(8-13)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyYUONNKKKQRMSGQ-PKSQDBQZSA-N
MW205.30 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol

(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol (PubChem CID 93252683) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
PubChem CID93252683
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
SMILESC[C@@H](CO)NC1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-13-7-12(8-13)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyYUONNKKKQRMSGQ-PKSQDBQZSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(3-phenylcyclobutyl)amino]propan-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

2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 43677527
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383
2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182335
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol (CID 93252683) is (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol is C[C@@H](CO)NC1CC(c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol?
The InChIKey is YUONNKKKQRMSGQ-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(9-15)14-13-7-12(8-13)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol?
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol is sourced from PubChem (CID 93252683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).