N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

C16H24BrN — CID 81354568

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCCC1(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m1/s1
InChIKeyDZSQBISBHZRBPC-KEKZHRQWSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 81354568) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID81354568
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCCC1(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m1/s1
InChIKeyDZSQBISBHZRBPC-KEKZHRQWSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 81354568) is N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is C[C@@H](NC1CCCCC1(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is DZSQBISBHZRBPC-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12(13-7-9-14(17)10-8-13)18-15-6-4-5-11-16(15,2)3/h7-10,12,15,18H,4-6,11H2,1-3H3/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81354568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).