1-(4-bromophenyl)-N,4-dimethylhexan-2-amine

C14H22BrN — CID 62602616

IUPAC1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C14H22BrN/c1-4-11(2)9-14(16-3)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyYVPKHFKYWVRRRV-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine

1-(4-bromophenyl)-N,4-dimethylhexan-2-amine (PubChem CID 62602616) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
PubChem CID62602616
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C14H22BrN/c1-4-11(2)9-14(16-3)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyYVPKHFKYWVRRRV-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
CID 63560195
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
N-[2-(4-bromophenyl)propan-2-yl]-5-methylheptan-3-amine
CID 43740793
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine (CID 62602616) is 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is YVPKHFKYWVRRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-11(2)9-14(16-3)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine?
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 62602616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).