1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine

C18H31ClN2 — CID 63484009

IUPAC1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H31ClN2/c1-5-12-20-18(16-7-9-17(19)10-8-16)11-13-21(4)14-15(3)6-2/h7-10,15,18,20H,5-6,11-14H2,1-4H3
InChIKeyDJGXAIOSNVYHGQ-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.75
Rot. Bonds10

About 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine (PubChem CID 63484009) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
PubChem CID63484009
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H31ClN2/c1-5-12-20-18(16-7-9-17(19)10-8-16)11-13-21(4)14-15(3)6-2/h7-10,15,18,20H,5-6,11-14H2,1-4H3
InChIKeyDJGXAIOSNVYHGQ-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62644843
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine (CID 63484009) is 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CC(C)CC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine?
The InChIKey is DJGXAIOSNVYHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-5-12-20-18(16-7-9-17(19)10-8-16)11-13-21(4)14-15(3)6-2/h7-10,15,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine has a molecular weight of 310.91 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63484009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).