N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride

C16H18ClN — CID 173138199

IUPACN-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
SMILESC=Cc1ccc(CNCc2ccccc2)cc1.Cl
InChIInChI=1S/C16H17N.ClH/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15;/h2-11,17H,1,12-13H2;1H
InChIKeyMWENMRHOIFBTFU-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride

N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 173138199) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID173138199
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
SMILESC=Cc1ccc(CNCc2ccccc2)cc1.Cl
InChIInChI=1S/C16H17N.ClH/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15;/h2-11,17H,1,12-13H2;1H
InChIKeyMWENMRHOIFBTFU-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
CID 90317414
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
prop-2-enylbenzene;styrene;hydrochloride
CID 174946140
N-benzyl-5-ethenylpyridin-2-amine
CID 102546692
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570
1-benzyl-4-[(4-ethenylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 15187995

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride (CID 173138199) is N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride is C=Cc1ccc(CNCc2ccccc2)cc1.Cl.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is MWENMRHOIFBTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.ClH/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15;/h2-11,17H,1,12-13H2;1H.
What are the key properties of N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 173138199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).