N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

C16H22ClNO — CID 114534792

IUPACN-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C16H22ClNO/c1-12-16(8-9-19-12,11-18-14-6-7-14)10-13-4-2-3-5-15(13)17/h2-5,12,14,18H,6-11H2,1H3
InChIKeyNLGXWTUKFDGNGP-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.43
Rot. Bonds5

About N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 114534792) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID114534792
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C16H22ClNO/c1-12-16(8-9-19-12,11-18-14-6-7-14)10-13-4-2-3-5-15(13)17/h2-5,12,14,18H,6-11H2,1H3
InChIKeyNLGXWTUKFDGNGP-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine 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

N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107309845
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[3-[(2,6-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534364
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
N-[[2-methyl-3-(3-methylsulfanylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 114534915
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (CID 114534792) is N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is CC1OCCC1(CNC1CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is NLGXWTUKFDGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-16(8-9-19-12,11-18-14-6-7-14)10-13-4-2-3-5-15(13)17/h2-5,12,14,18H,6-11H2,1H3.
What are the key properties of N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114534792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).