N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine

C17H19N — CID 57106093

IUPACN-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3
InChIKeyUXXPMJPOHVLDCA-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.97
Rot. Bonds5

About N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine

N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine (PubChem CID 57106093) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
PubChem CID57106093
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3
InChIKeyUXXPMJPOHVLDCA-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 44570860
2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile
CID 115131083
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
CID 67853322
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
CID 75399541
2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105348109

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine (CID 57106093) is N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine is C=CCN(C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is UXXPMJPOHVLDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-13-18(2)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3.
What are the key properties of N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine?
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 57106093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).