1-(3-bromophenyl)cyclohexan-1-amine

C12H16BrN — CID 43345661

IUPAC1-(3-bromophenyl)cyclohexan-1-amine
SMILESNC1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C12H16BrN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2
InChIKeyGXIJPEOUTSNTTJ-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.57
Rot. Bonds1

About 1-(3-bromophenyl)cyclohexan-1-amine

1-(3-bromophenyl)cyclohexan-1-amine (PubChem CID 43345661) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclohexan-1-amine
PubChem CID43345661
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(3-bromophenyl)cyclohexan-1-amine
SMILESNC1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C12H16BrN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2
InChIKeyGXIJPEOUTSNTTJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-bromophenyl)cyclohexan-1-amine (CID 43345661) is 1-(3-bromophenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)cyclohexan-1-amine is NC1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclohexan-1-amine?
The InChIKey is GXIJPEOUTSNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2.
What are the key properties of 1-(3-bromophenyl)cyclohexan-1-amine?
1-(3-bromophenyl)cyclohexan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclohexan-1-amine is sourced from PubChem (CID 43345661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).