1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine

C15H23ClN2 — CID 55022414

IUPAC1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C15H23ClN2/c1-3-10-18(12-8-9-12)15(11(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,3,8-10,17H2,1-2H3
InChIKeyIUNYRFKMZBNNGT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine

1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine (PubChem CID 55022414) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
PubChem CID55022414
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C15H23ClN2/c1-3-10-18(12-8-9-12)15(11(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,3,8-10,17H2,1-2H3
InChIKeyIUNYRFKMZBNNGT-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-1-(2-chlorophenyl)-1-N-cyclopropylpropane-1,2-diamine
CID 55022321
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 55022689
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
CID 169245658
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine (CID 55022414) is 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine is CCCN(C1CC1)C(c1ccccc1Cl)C(C)N.
What is the InChIKey of 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The InChIKey is IUNYRFKMZBNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-10-18(12-8-9-12)15(11(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,3,8-10,17H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 55022414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).