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

C11H17BrN2 — CID 115199107

IUPAC1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyQOTBIEYRGIDEIK-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.62
Rot. Bonds4

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

1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine (PubChem CID 115199107) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
PubChem CID115199107
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyQOTBIEYRGIDEIK-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(4-methylsulfanylphenyl)butane-1,3-diamine
CID 115199187
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
2-amino-3-(4-bromo-N-methylanilino)propan-1-ol
CID 115120371
N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204773
N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252380
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine (CID 115199107) is 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine is CC(N)CCN(C)c1ccc(Br)cc1.
What is the InChIKey of 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine?
The InChIKey is QOTBIEYRGIDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine?
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).