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

C16H27ClN2 — CID 62629730

IUPAC1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)12-9-16(18-3)14-7-6-8-15(17)13-14/h6-8,13,16,18H,4-5,9-12H2,1-3H3
InChIKeyTZAPPZCXJCREMG-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.11
Rot. Bonds9

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

1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine (PubChem CID 62629730) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
PubChem CID62629730
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)12-9-16(18-3)14-7-6-8-15(17)13-14/h6-8,13,16,18H,4-5,9-12H2,1-3H3
InChIKeyTZAPPZCXJCREMG-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-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
CID 63494994
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine (CID 62629730) is 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCC(NC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is TZAPPZCXJCREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)12-9-16(18-3)14-7-6-8-15(17)13-14/h6-8,13,16,18H,4-5,9-12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine?
1-(3-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-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62629730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).