2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine

C13H18ClNO — CID 79443640

IUPAC2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNCC(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1,3-4,7,11,13H,2,5-6,8-9,15H2
InChIKeyKGCGBFVIBRBUAB-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine

2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 79443640) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID79443640
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNCC(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1,3-4,7,11,13H,2,5-6,8-9,15H2
InChIKeyKGCGBFVIBRBUAB-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine 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-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
CID 66147924
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
4-chloro-2-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 79528225
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine (CID 79443640) is 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine is NCC(CC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is KGCGBFVIBRBUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1,3-4,7,11,13H,2,5-6,8-9,15H2.
What are the key properties of 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine?
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 79443640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).