N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine

C16H24BrN — CID 43740733

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-12-6-4-5-7-15(12)18-16(2,3)13-8-10-14(17)11-9-13/h8-12,15,18H,4-7H2,1-3H3
InChIKeyPOEDFBQOCIVUQO-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.85
Rot. Bonds3

About N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine

N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine (PubChem CID 43740733) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine
PubChem CID43740733
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-12-6-4-5-7-15(12)18-16(2,3)13-8-10-14(17)11-9-13/h8-12,15,18H,4-7H2,1-3H3
InChIKeyPOEDFBQOCIVUQO-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine (CID 43740733) is N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine is CC1CCCCC1NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine?
The InChIKey is POEDFBQOCIVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-6-4-5-7-15(12)18-16(2,3)13-8-10-14(17)11-9-13/h8-12,15,18H,4-7H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine?
N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43740733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).