3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine

C13H18ClN — CID 63355001

IUPAC3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H18ClN/c1-15-13(11-6-7-11)8-5-10-3-2-4-12(14)9-10/h2-4,9,11,13,15H,5-8H2,1H3
InChIKeySWROQHSXAUWLGW-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.27
Rot. Bonds5

About 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine

3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 63355001) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID63355001
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H18ClN/c1-15-13(11-6-7-11)8-5-10-3-2-4-12(14)9-10/h2-4,9,11,13,15H,5-8H2,1H3
InChIKeySWROQHSXAUWLGW-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63528651
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
CID 64984199
1-cyclopropyl-N-methyl-3-quinolin-6-ylpropan-1-amine
CID 81221236
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114216197
1-chloro-3-[(E)-3-cyclobutylhex-4-enyl]benzene
CID 173262706
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
CID 82540396
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine (CID 63355001) is 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine is CNC(CCc1cccc(Cl)c1)C1CC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is SWROQHSXAUWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-15-13(11-6-7-11)8-5-10-3-2-4-12(14)9-10/h2-4,9,11,13,15H,5-8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine?
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 63355001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).