(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride

C16H20ClN — CID 175772829

IUPAC(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
SMILESCC(C)c1ccc([C@@H](N)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19N.ClH/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;/h3-12,16H,17H2,1-2H3;1H/t16-;/m0./s1
InChIKeyWPEHUPFFEXQLOE-NTISSMGPSA-N
MW261.80 g/mol
LogP4.28
Rot. Bonds3

About (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride

(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride (PubChem CID 175772829) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
PubChem CID175772829
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
SMILESCC(C)c1ccc([C@@H](N)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19N.ClH/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;/h3-12,16H,17H2,1-2H3;1H/t16-;/m0./s1
InChIKeyWPEHUPFFEXQLOE-NTISSMGPSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;cumene;hydrochloride
CID 175202155
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
CID 174377533
CID 174377533
diphenylmethanamine;methanethiol
CID 143873840
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;ethane
CID 54306132
CID 160506105
CID 160506105
cumene;methanethiol
CID 170640582

Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride (CID 175772829) is (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride is CC(C)c1ccc([C@@H](N)c2ccccc2)cc1.Cl.
What is the InChIKey of (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride?
The InChIKey is WPEHUPFFEXQLOE-NTISSMGPSA-N. The full InChI is InChI=1S/C16H19N.ClH/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;/h3-12,16H,17H2,1-2H3;1H/t16-;/m0./s1.
What are the key properties of (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride?
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 175772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).