2-benzyl-3-(cyclopropylamino)propan-1-ol

C13H19NO — CID 117241557

IUPAC2-benzyl-3-(cyclopropylamino)propan-1-ol
SMILESOCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C13H19NO/c15-10-12(9-14-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyQDAOXECKJNIPQV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.59
Rot. Bonds6

About 2-benzyl-3-(cyclopropylamino)propan-1-ol

2-benzyl-3-(cyclopropylamino)propan-1-ol (PubChem CID 117241557) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-benzyl-3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-(cyclopropylamino)propan-1-ol
PubChem CID117241557
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-benzyl-3-(cyclopropylamino)propan-1-ol
SMILESOCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C13H19NO/c15-10-12(9-14-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyQDAOXECKJNIPQV-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-3-(cyclopropylamino)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-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(cyclopropylamino)propan-1-ol?
The IUPAC name of 2-benzyl-3-(cyclopropylamino)propan-1-ol (CID 117241557) is 2-benzyl-3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 2-benzyl-3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 2-benzyl-3-(cyclopropylamino)propan-1-ol is OCC(CNC1CC1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(cyclopropylamino)propan-1-ol?
The InChIKey is QDAOXECKJNIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-10-12(9-14-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2.
What are the key properties of 2-benzyl-3-(cyclopropylamino)propan-1-ol?
2-benzyl-3-(cyclopropylamino)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 117241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).