2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine

C11H17BrN2 — CID 65377898

IUPAC2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-8(2)11(7-13)14-10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyFQZSPHFLGHVRRU-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.84
Rot. Bonds4

About 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine

2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine (PubChem CID 65377898) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
PubChem CID65377898
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-8(2)11(7-13)14-10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyFQZSPHFLGHVRRU-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-methoxy-4-methylpentan-3-yl)aniline
CID 115916693
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
3-bromo-N-propan-2-ylaniline
CID 23291934
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
3-bromo-N-(1,1-difluoropropan-2-yl)aniline
CID 102867830
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine (CID 65377898) is 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine is CC(C)C(CN)Nc1cccc(Br)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine?
The InChIKey is FQZSPHFLGHVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8(2)11(7-13)14-10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine?
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65377898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).