(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride

C19H24ClNO — CID 171220083

IUPAC(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Oc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C19H23NO.ClH/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17;/h2,5-7,10-15,19H,1,3-4,8-9,20H2;1H/t19-;/m0./s1
InChIKeyANRMKWNZWZZTJJ-FYZYNONXSA-N
MW317.86 g/mol
LogP5.48
Rot. Bonds4

About (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride

(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride (PubChem CID 171220083) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
PubChem CID171220083
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Oc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C19H23NO.ClH/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17;/h2,5-7,10-15,19H,1,3-4,8-9,20H2;1H/t19-;/m0./s1
InChIKeyANRMKWNZWZZTJJ-FYZYNONXSA-N
XLogP5.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314167
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
CID 83973421
(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine
CID 171217975
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
cyclohexyl(phenyl)methanamine
CID 11064121
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride (CID 171220083) is (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride is Cl.N[C@H](c1cccc(Oc2ccccc2)c1)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride?
The InChIKey is ANRMKWNZWZZTJJ-FYZYNONXSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17;/h2,5-7,10-15,19H,1,3-4,8-9,20H2;1H/t19-;/m0./s1.
What are the key properties of (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride?
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171220083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).