1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine

C15H25ClN2 — CID 62644814

IUPAC1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H25ClN2/c1-4-10-18(12(2)3)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyNBFPQPSIQGKIEO-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine (PubChem CID 62644814) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
PubChem CID62644814
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H25ClN2/c1-4-10-18(12(2)3)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyNBFPQPSIQGKIEO-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493353
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
CID 43269493
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine (CID 62644814) is 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine is CCCN(CCC(N)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The InChIKey is NBFPQPSIQGKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-10-18(12(2)3)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62644814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).