N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine

C13H19ClN2 — CID 174738442

IUPACN-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
SMILESNCCCc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C13H19ClN2/c14-13-6-3-10(2-1-7-15)8-11(13)9-16-12-4-5-12/h3,6,8,12,16H,1-2,4-5,7,9,15H2
InChIKeyKMNPAOPBGUZNFA-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.48
Rot. Bonds6

About N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine

N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine (PubChem CID 174738442) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
PubChem CID174738442
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
SMILESNCCCc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C13H19ClN2/c14-13-6-3-10(2-1-7-15)8-11(13)9-16-12-4-5-12/h3,6,8,12,16H,1-2,4-5,7,9,15H2
InChIKeyKMNPAOPBGUZNFA-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
CID 67148684
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl-cyclopropylcarbamic acid
CID 143519113
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
CID 67148598
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
CID 66899598
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 67148430
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine (CID 174738442) is N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine is NCCCc1ccc(Cl)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine?
The InChIKey is KMNPAOPBGUZNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-6-3-10(2-1-7-15)8-11(13)9-16-12-4-5-12/h3,6,8,12,16H,1-2,4-5,7,9,15H2.
What are the key properties of N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine?
N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine has a molecular weight of 238.76 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 174738442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).