1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine

C12H19BrN2 — CID 115203761

IUPAC1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-10(14)5-4-8-15(2)12-7-3-6-11(13)9-12/h3,6-7,9-10H,4-5,8,14H2,1-2H3
InChIKeyZBSUQIHFCYABKU-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.01
Rot. Bonds5

About 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine

1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 115203761) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
PubChem CID115203761
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-10(14)5-4-8-15(2)12-7-3-6-11(13)9-12/h3,6-7,9-10H,4-5,8,14H2,1-2H3
InChIKeyZBSUQIHFCYABKU-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(3-bromo-N-methylanilino)butanoic acid
CID 115241147
3-bromo-N-(2-chloroethyl)-N-methylaniline
CID 82119005
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203766
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine (CID 115203761) is 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)c1cccc(Br)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is ZBSUQIHFCYABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10(14)5-4-8-15(2)12-7-3-6-11(13)9-12/h3,6-7,9-10H,4-5,8,14H2,1-2H3.
What are the key properties of 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine?
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 271.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).