1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine

C17H29BrN2 — CID 63494766

IUPAC1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCC(N)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C17H29BrN2/c1-13(2)11-20(12-14(3)4)10-9-17(19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,9-12,19H2,1-4H3
InChIKeyFYAIHBVZFVZJBJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.45
Rot. Bonds8

About 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine

1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine (PubChem CID 63494766) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
PubChem CID63494766
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCC(N)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C17H29BrN2/c1-13(2)11-20(12-14(3)4)10-9-17(19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,9-12,19H2,1-4H3
InChIKeyFYAIHBVZFVZJBJ-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619620
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine (CID 63494766) is 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine is CC(C)CN(CCC(N)c1ccc(Br)cc1)CC(C)C.
What is the InChIKey of 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The InChIKey is FYAIHBVZFVZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-13(2)11-20(12-14(3)4)10-9-17(19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,9-12,19H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.45, 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',N'-bis(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63494766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).