ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen

C16H21N — CID 168878317

IUPACethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
SMILESC=C.Cc1cccc(CNc2ccccc2)c1.[H][H]
InChIInChI=1S/C14H15N.C2H4.H2/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14;1-2;/h2-10,15H,11H2,1H3;1-2H2;1H
InChIKeyNFFYABLGALMVIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.66
Rot. Bonds3

About ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen

ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen (PubChem CID 168878317) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen.

Molecular Properties

Compound Nameethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
PubChem CID168878317
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
SMILESC=C.Cc1cccc(CNc2ccccc2)c1.[H][H]
InChIInChI=1S/C14H15N.C2H4.H2/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14;1-2;/h2-10,15H,11H2,1H3;1-2H2;1H
InChIKeyNFFYABLGALMVIM-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
CID 163931246
CID 163931246
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
CID 143782368
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
CID 43540108
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen?
The IUPAC name of ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen (CID 168878317) is ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen.
What is the SMILES notation for ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen?
The canonical SMILES for ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen is C=C.Cc1cccc(CNc2ccccc2)c1.[H][H].
What is the InChIKey of ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen?
The InChIKey is NFFYABLGALMVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2H4.H2/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14;1-2;/h2-10,15H,11H2,1H3;1-2H2;1H.
What are the key properties of ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen?
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen has a molecular weight of 227.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen is sourced from PubChem (CID 168878317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).