N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C13H19ClN2 — CID 61417418

IUPACN-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)C1CC1
InChIInChI=1S/C13H19ClN2/c1-16(13(8-15)10-6-7-10)9-11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyJBHLKYWOMNGKTR-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 61417418) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID61417418
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)C1CC1
InChIInChI=1S/C13H19ClN2/c1-16(13(8-15)10-6-7-10)9-11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyJBHLKYWOMNGKTR-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-cyclopropyl-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651217
1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
CID 116651539
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 116652756
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 61417418) is N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(Cc1ccccc1Cl)C(CN)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is JBHLKYWOMNGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(13(8-15)10-6-7-10)9-11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 61417418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).