1-(2-bromophenyl)-N-methylhexan-1-amine

C13H20BrN — CID 62602989

IUPAC1-(2-bromophenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-3-4-5-10-13(15-2)11-8-6-7-9-12(11)14/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyBMVXLHPALKHVAG-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.29
Rot. Bonds6

About 1-(2-bromophenyl)-N-methylhexan-1-amine

1-(2-bromophenyl)-N-methylhexan-1-amine (PubChem CID 62602989) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methylhexan-1-amine
PubChem CID62602989
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromophenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-3-4-5-10-13(15-2)11-8-6-7-9-12(11)14/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyBMVXLHPALKHVAG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.29
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

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CID 57228103
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CID 106648270
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
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1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
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N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
1-bromo-2-heptan-2-ylbenzene
CID 59216916
1-(2-bromo-3-fluorophenyl)-N-methylheptan-1-amine
CID 115833205
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
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2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-methylhexan-1-amine (CID 62602989) is 1-(2-bromophenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methylhexan-1-amine?
The InChIKey is BMVXLHPALKHVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-4-5-10-13(15-2)11-8-6-7-9-12(11)14/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-methylhexan-1-amine?
1-(2-bromophenyl)-N-methylhexan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 62602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).