N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine

C19H21N — CID 122203539

IUPACN-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)Cc1ccccc1C=C
InChIInChI=1S/C19H21N/c1-3-14-20(15-17-10-6-5-7-11-17)16-19-13-9-8-12-18(19)4-2/h3-13H,1-2,14-16H2
InChIKeyMHOATPGNRUDODG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.52
Rot. Bonds7

About N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine

N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine (PubChem CID 122203539) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
PubChem CID122203539
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)Cc1ccccc1C=C
InChIInChI=1S/C19H21N/c1-3-14-20(15-17-10-6-5-7-11-17)16-19-13-9-8-12-18(19)4-2/h3-13H,1-2,14-16H2
InChIKeyMHOATPGNRUDODG-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.52
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

2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
CID 146208765
benzyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 19037167
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
4-[benzyl(prop-2-enyl)amino]-2-methylidenebutanenitrile
CID 10799280
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 67182914
N-benzyl-N-prop-2-enylpent-4-yn-1-amine
CID 102338233
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine (CID 122203539) is N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine is C=CCN(Cc1ccccc1)Cc1ccccc1C=C.
What is the InChIKey of N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is MHOATPGNRUDODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-14-20(15-17-10-6-5-7-11-17)16-19-13-9-8-12-18(19)4-2/h3-13H,1-2,14-16H2.
What are the key properties of N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine?
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 122203539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).