N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine

C13H18ClN — CID 62596205

IUPACN-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN/c1-10(2)15-9-13(7-8-13)11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyFRBPXMHYHWWWQV-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.37
Rot. Bonds4

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

N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62596205) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID62596205
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN/c1-10(2)15-9-13(7-8-13)11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyFRBPXMHYHWWWQV-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Didesmethylsibutramine
CID 134772
(1S,6R)-6-(2-chlorophenyl)cyclohex-3-en-1-amine
CID 16049437
p-Chloromethamphetamine
CID 3128
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
N-Desmethylsibutramine
CID 10199199
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750
(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine (CID 62596205) is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(c2ccccc2Cl)CC1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is FRBPXMHYHWWWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(2)15-9-13(7-8-13)11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62596205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).