1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

C16H27BrN2 — CID 55099568

IUPAC1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCC(C)CC(C)N(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2/c1-12(2)10-13(3)19(4)9-8-16(18)14-6-5-7-15(17)11-14/h5-7,11-13,16H,8-10,18H2,1-4H3
InChIKeyYARFHGXBCZSKOV-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.21
Rot. Bonds7

About 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 55099568) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID55099568
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCC(C)CC(C)N(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2/c1-12(2)10-13(3)19(4)9-8-16(18)14-6-5-7-15(17)11-14/h5-7,11-13,16H,8-10,18H2,1-4H3
InChIKeyYARFHGXBCZSKOV-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-1-N-methyl-1-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 63404525
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
CID 55099043

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (CID 55099568) is 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is CC(C)CC(C)N(C)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is YARFHGXBCZSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-12(2)10-13(3)19(4)9-8-16(18)14-6-5-7-15(17)11-14/h5-7,11-13,16H,8-10,18H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 327.31 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 55099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).