1-(4-bromophenyl)-N,2-dimethylpentan-3-amine

C13H20BrN — CID 63560195

IUPAC1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-13(15-3)10(2)9-11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyBEYBXXYASGMCJP-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine

1-(4-bromophenyl)-N,2-dimethylpentan-3-amine (PubChem CID 63560195) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
PubChem CID63560195
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-13(15-3)10(2)9-11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyBEYBXXYASGMCJP-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995739
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-bromo-4-(2-chlorobutyl)benzene
CID 18417634
2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine
CID 114013874
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
N,4-dimethylhexan-3-amine
CID 63559808
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine?
The IUPAC name of 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine (CID 63560195) is 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine is CCC(NC)C(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine?
The InChIKey is BEYBXXYASGMCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-13(15-3)10(2)9-11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine?
1-(4-bromophenyl)-N,2-dimethylpentan-3-amine has a molecular weight of 270.21 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,2-dimethylpentan-3-amine is sourced from PubChem (CID 63560195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).