1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine

C16H27ClN2 — CID 62643771

IUPAC1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyKYCGZBOYFHAOBF-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.11
Rot. Bonds9

About 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine

1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine (PubChem CID 62643771) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
PubChem CID62643771
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyKYCGZBOYFHAOBF-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664674
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine (CID 62643771) is 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine is CCCNC(CCN(C)CCC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is KYCGZBOYFHAOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62643771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).