2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

C16H24BrN — CID 55186350

IUPAC2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2ccccc2Br)C1
InChIInChI=1S/C16H24BrN/c1-3-12-8-9-16(18-2)14(10-12)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeySWCJBTAELLJWIG-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.41
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 55186350) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID55186350
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2ccccc2Br)C1
InChIInChI=1S/C16H24BrN/c1-3-12-8-9-16(18-2)14(10-12)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeySWCJBTAELLJWIG-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 55186350) is 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Cc2ccccc2Br)C1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is SWCJBTAELLJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-12-8-9-16(18-2)14(10-12)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 55186350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).