2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride

C18H22ClN — CID 173170448

IUPAC2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1cccc(C(C)(C)N)c1Cc1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-4-15-11-8-12-17(18(2,3)19)16(15)13-14-9-6-5-7-10-14;/h4-12H,1,13,19H2,2-3H3;1H
InChIKeyXXDSHYBACMHWTI-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.54
Rot. Bonds4

About 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride

2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride (PubChem CID 173170448) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride
PubChem CID173170448
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1cccc(C(C)(C)N)c1Cc1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-4-15-11-8-12-17(18(2,3)19)16(15)13-14-9-6-5-7-10-14;/h4-12H,1,13,19H2,2-3H3;1H
InChIKeyXXDSHYBACMHWTI-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(2-ethenylphenyl)propan-1-ol
CID 55294949
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O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
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1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
CID 174922883
4-(1-aminoethyl)-3-benzyl-5-ethenylchromen-2-one
CID 174704762
dichloro-(2-ethenylphenyl)methanamine
CID 154300211
1-(2-ethenylphenyl)prop-2-ene-1,1-diamine
CID 150070800
benzylbenzene;ethane;methanamine
CID 54117827
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
CID 173430654

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride (CID 173170448) is 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride is C=Cc1cccc(C(C)(C)N)c1Cc1ccccc1.Cl.
What is the InChIKey of 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride?
The InChIKey is XXDSHYBACMHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-4-15-11-8-12-17(18(2,3)19)16(15)13-14-9-6-5-7-10-14;/h4-12H,1,13,19H2,2-3H3;1H.
What are the key properties of 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride?
2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 173170448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).