N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine

C13H18ClN — CID 61030394

IUPACN-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1CC1
InChIInChI=1S/C13H18ClN/c1-2-9-15-13(10-7-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeyKQSVVIKPNVVHKP-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds5

About N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine

N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine (PubChem CID 61030394) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
PubChem CID61030394
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1CC1
InChIInChI=1S/C13H18ClN/c1-2-9-15-13(10-7-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeyKQSVVIKPNVVHKP-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
CID 65425524
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine (CID 61030394) is N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is KQSVVIKPNVVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-9-15-13(10-7-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine?
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 61030394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).