(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine

C16H24BrN — CID 121454594

IUPAC(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC([C@@H](CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN/c1-16(2)9-7-13(8-10-16)15(11-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3/t15-/m0/s1
InChIKeyYURNATOALHADME-HNNXBMFYSA-N
MW310.28 g/mol
LogP4.71
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine

(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine (PubChem CID 121454594) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine
PubChem CID121454594
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC([C@@H](CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN/c1-16(2)9-7-13(8-10-16)15(11-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3/t15-/m0/s1
InChIKeyYURNATOALHADME-HNNXBMFYSA-N
XLogP4.71
TPSA26.02 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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine (CID 121454594) is (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine is CC1(C)CCC([C@@H](CN)c2ccc(Br)cc2)CC1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is YURNATOALHADME-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-16(2)9-7-13(8-10-16)15(11-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine?
(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 121454594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).