1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine

C14H22BrN — CID 105028683

IUPAC1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
SMILESCc1cc(Br)ccc1C(N)CCCC(C)C
InChIInChI=1S/C14H22BrN/c1-10(2)5-4-6-14(16)13-8-7-12(15)9-11(13)3/h7-10,14H,4-6,16H2,1-3H3
InChIKeyWVNSSKSUIYGZCL-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.58
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine

1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine (PubChem CID 105028683) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
PubChem CID105028683
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
SMILESCc1cc(Br)ccc1C(N)CCCC(C)C
InChIInChI=1S/C14H22BrN/c1-10(2)5-4-6-14(16)13-8-7-12(15)9-11(13)3/h7-10,14H,4-6,16H2,1-3H3
InChIKeyWVNSSKSUIYGZCL-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
CID 83161775
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
CID 171204721
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
ethyl 3-amino-3-(4-bromo-2-methylphenyl)propanoate
CID 4311402
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
5-methyl-1-(2,3,4-trifluorophenyl)hexan-1-amine
CID 105028635

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine (CID 105028683) is 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine is Cc1cc(Br)ccc1C(N)CCCC(C)C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine?
The InChIKey is WVNSSKSUIYGZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-10(2)5-4-6-14(16)13-8-7-12(15)9-11(13)3/h7-10,14H,4-6,16H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine?
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).