1-(2-bromophenyl)hexan-1-amine

C12H18BrN — CID 62604682

IUPAC1-(2-bromophenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13/h5-8,12H,2-4,9,14H2,1H3
InChIKeyADJCHHQKRPAYBC-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-bromophenyl)hexan-1-amine

1-(2-bromophenyl)hexan-1-amine (PubChem CID 62604682) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)hexan-1-amine
PubChem CID62604682
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(2-bromophenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13/h5-8,12H,2-4,9,14H2,1H3
InChIKeyADJCHHQKRPAYBC-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.03
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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1-(2-methylphenyl)nonan-1-amine
CID 63412316
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1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
(1R)-1-naphthalen-1-ylhexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)hexan-1-amine?
The IUPAC name of 1-(2-bromophenyl)hexan-1-amine (CID 62604682) is 1-(2-bromophenyl)hexan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)hexan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)hexan-1-amine is CCCCCC(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)hexan-1-amine?
The InChIKey is ADJCHHQKRPAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13/h5-8,12H,2-4,9,14H2,1H3.
What are the key properties of 1-(2-bromophenyl)hexan-1-amine?
1-(2-bromophenyl)hexan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)hexan-1-amine is sourced from PubChem (CID 62604682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).