1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine

C14H22BrN — CID 115837445

IUPAC1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H22BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h8-10,14,16H,4-7H2,1-3H3
InChIKeyCYKMSCXHKIKHAA-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine

1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine (PubChem CID 115837445) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
PubChem CID115837445
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H22BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h8-10,14,16H,4-7H2,1-3H3
InChIKeyCYKMSCXHKIKHAA-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
CID 79746685
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine (CID 115837445) is 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine?
The InChIKey is CYKMSCXHKIKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h8-10,14,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine?
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 115837445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).