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

C14H21ClN2 — CID 62411722

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-11(9-16-13-7-8-13)17(2)10-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyGCRNUMMRPAQDGZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.91
Rot. Bonds6

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

2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine (PubChem CID 62411722) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
PubChem CID62411722
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-11(9-16-13-7-8-13)17(2)10-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyGCRNUMMRPAQDGZ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568215
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine (CID 62411722) is 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine is CC(CNC1CC1)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The InChIKey is GCRNUMMRPAQDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(9-16-13-7-8-13)17(2)10-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62411722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).