(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine

C16H24BrN — CID 81354090

IUPAC(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3/t13-/m1/s1
InChIKeyDTCMPFWZIFOQBZ-CYBMUJFWSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds5

About (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine

(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine (PubChem CID 81354090) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
PubChem CID81354090
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
SMILESC[C@@H](NCCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3/t13-/m1/s1
InChIKeyDTCMPFWZIFOQBZ-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

N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine (CID 81354090) is (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine is C[C@@H](NCCC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
The InChIKey is DTCMPFWZIFOQBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine?
(1R)-1-(4-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-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine is sourced from PubChem (CID 81354090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).