(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine

C15H22BrN — CID 81387900

IUPAC(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESC[C@H](NCc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3/t12-/m0/s1
InChIKeyRMLUQNQYZUHALI-LBPRGKRZSA-N
MW296.25 g/mol
LogP4.51
Rot. Bonds4

About (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine

(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine (PubChem CID 81387900) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
PubChem CID81387900
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESC[C@H](NCc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3/t12-/m0/s1
InChIKeyRMLUQNQYZUHALI-LBPRGKRZSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine (CID 81387900) is (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine is C[C@H](NCc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is RMLUQNQYZUHALI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine?
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81387900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).