[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride

C18H22ClN — CID 173049535

IUPAC[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
SMILESC/C(Cc1ccccc1)=C(\C)c1ccccc1CN.Cl
InChIInChI=1S/C18H21N.ClH/c1-14(12-16-8-4-3-5-9-16)15(2)18-11-7-6-10-17(18)13-19;/h3-11H,12-13,19H2,1-2H3;1H/b15-14-;
InChIKeyHGAKDFSIKMOBEX-BGWNKZQTSA-N
MW287.83 g/mol
LogP4.60
Rot. Bonds4

About [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride

[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride (PubChem CID 173049535) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
PubChem CID173049535
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
SMILESC/C(Cc1ccccc1)=C(\C)c1ccccc1CN.Cl
InChIInChI=1S/C18H21N.ClH/c1-14(12-16-8-4-3-5-9-16)15(2)18-11-7-6-10-17(18)13-19;/h3-11H,12-13,19H2,1-2H3;1H/b15-14-;
InChIKeyHGAKDFSIKMOBEX-BGWNKZQTSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-4-phenylbut-2-en-2-yl)-2-octadecylbenzene
CID 175247099
bis[2-(aminomethyl)phenyl]methanethione
CID 87478627
[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
CID 163257031
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
2-(aminomethyl)benzoyl chloride
CID 82503183
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
[2-(1-chloroethenyl)phenyl]methanamine
CID 172698526
1,1,5,5-tetrakis[2-(aminomethyl)phenyl]pentan-3-one
CID 174948775
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
CID 163539721
CID 174688914
CID 174688914
1-phenylpropane-2-thione
CID 19915653

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride (CID 173049535) is [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride is C/C(Cc1ccccc1)=C(\C)c1ccccc1CN.Cl.
What is the InChIKey of [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride?
The InChIKey is HGAKDFSIKMOBEX-BGWNKZQTSA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-14(12-16-8-4-3-5-9-16)15(2)18-11-7-6-10-17(18)13-19;/h3-11H,12-13,19H2,1-2H3;1H/b15-14-;.
What are the key properties of [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride?
[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 173049535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).