(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine

C16H24BrN — CID 81378704

IUPAC(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-13(15-9-5-6-10-16(15)17)18-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1
InChIKeyBIPPCHZUDKPXFR-CYBMUJFWSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds5

About (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine

(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine (PubChem CID 81378704) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
PubChem CID81378704
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-13(15-9-5-6-10-16(15)17)18-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1
InChIKeyBIPPCHZUDKPXFR-CYBMUJFWSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine (CID 81378704) is (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine is C[C@@H](NCCC1CCCCC1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The InChIKey is BIPPCHZUDKPXFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(15-9-5-6-10-16(15)17)18-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine is sourced from PubChem (CID 81378704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).