1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine

C18H31BrN2 — CID 63493931

IUPAC1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrN2/c1-6-12-20-17(15-7-9-16(19)10-8-15)11-13-21(5)14-18(2,3)4/h7-10,17,20H,6,11-14H2,1-5H3
InChIKeyJCSSTZLWNVIUEC-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.86
Rot. Bonds8

About 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine

1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 63493931) has the molecular formula C18H31BrN2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID63493931
Molecular FormulaC18H31BrN2
Molecular Weight355.36 g/mol
Exact Mass354.17
IUPAC Name1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrN2/c1-6-12-20-17(15-7-9-16(19)10-8-15)11-13-21(5)14-18(2,3)4/h7-10,17,20H,6,11-14H2,1-5H3
InChIKeyJCSSTZLWNVIUEC-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(4-bromophenyl)-N'-methyl-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987438
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
1-(4-bromophenyl)-N'-methyl-N-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62619770
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-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine (CID 63493931) is 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is JCSSTZLWNVIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrN2/c1-6-12-20-17(15-7-9-16(19)10-8-15)11-13-21(5)14-18(2,3)4/h7-10,17,20H,6,11-14H2,1-5H3.
What are the key properties of 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 355.36 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63493931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).