(1S)-1-(4-bromophenyl)hexan-1-amine

C12H18BrN — CID 28979678

IUPAC(1S)-1-(4-bromophenyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12H,2-5,14H2,1H3/t12-/m0/s1
InChIKeyDLAWTLJGIUJRPY-LBPRGKRZSA-N
MW256.19 g/mol
LogP4.03
Rot. Bonds5

About (1S)-1-(4-bromophenyl)hexan-1-amine

(1S)-1-(4-bromophenyl)hexan-1-amine (PubChem CID 28979678) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)hexan-1-amine
PubChem CID28979678
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name(1S)-1-(4-bromophenyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12H,2-5,14H2,1H3/t12-/m0/s1
InChIKeyDLAWTLJGIUJRPY-LBPRGKRZSA-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

(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
4-(1-aminooctyl)aniline
CID 137458153
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(4-ethylphenyl)decan-1-amine
CID 63412475
1-(4-iodophenyl)heptan-1-amine
CID 115833109
4-(1-aminododecyl)phenol
CID 174770403
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)hexan-1-amine?
The IUPAC name of (1S)-1-(4-bromophenyl)hexan-1-amine (CID 28979678) is (1S)-1-(4-bromophenyl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)hexan-1-amine?
The canonical SMILES for (1S)-1-(4-bromophenyl)hexan-1-amine is CCCCC[C@H](N)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)hexan-1-amine?
The InChIKey is DLAWTLJGIUJRPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18BrN/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12H,2-5,14H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)hexan-1-amine?
(1S)-1-(4-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 (1S)-1-(4-bromophenyl)hexan-1-amine is sourced from PubChem (CID 28979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).