(S)-(3-bromophenyl)-cyclohexylmethanamine

C13H18BrN — CID 93312550

IUPAC(S)-(3-bromophenyl)-cyclohexylmethanamine
SMILESN[C@H](c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,15H2/t13-/m0/s1
InChIKeyNYTZYSKAFXHKGC-ZDUSSCGKSA-N
MW268.20 g/mol
LogP4.03
Rot. Bonds2

About (S)-(3-bromophenyl)-cyclohexylmethanamine

(S)-(3-bromophenyl)-cyclohexylmethanamine (PubChem CID 93312550) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is (S)-(3-bromophenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromophenyl)-cyclohexylmethanamine
PubChem CID93312550
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name(S)-(3-bromophenyl)-cyclohexylmethanamine
SMILESN[C@H](c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,15H2/t13-/m0/s1
InChIKeyNYTZYSKAFXHKGC-ZDUSSCGKSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
CID 116937412
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
cyclohexyl(phenyl)methanamine
CID 11064121
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromophenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(3-bromophenyl)-cyclohexylmethanamine (CID 93312550) is (S)-(3-bromophenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(3-bromophenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(3-bromophenyl)-cyclohexylmethanamine is N[C@H](c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of (S)-(3-bromophenyl)-cyclohexylmethanamine?
The InChIKey is NYTZYSKAFXHKGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18BrN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,15H2/t13-/m0/s1.
What are the key properties of (S)-(3-bromophenyl)-cyclohexylmethanamine?
(S)-(3-bromophenyl)-cyclohexylmethanamine has a molecular weight of 268.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromophenyl)-cyclohexylmethanamine is sourced from PubChem (CID 93312550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).