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

C15H22BrN — CID 81383462

IUPAC(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-12(14-9-5-6-10-15(14)16)17-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyDJNFWRQYVWMPBJ-GFCCVEGCSA-N
MW296.25 g/mol
LogP4.68
Rot. Bonds4

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

(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 81383462) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
PubChem CID81383462
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrN/c1-12(14-9-5-6-10-15(14)16)17-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyDJNFWRQYVWMPBJ-GFCCVEGCSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
1-(2-bromophenyl)-N-(thian-3-ylmethyl)ethanamine
CID 114282776
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine (CID 81383462) is (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine is C[C@@H](NCC1CCCCC1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is DJNFWRQYVWMPBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(14-9-5-6-10-15(14)16)17-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine?
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.68, 4 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-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 81383462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).