(3-ethenyl-2-methylphenyl)methanamine

C10H13N — CID 155364833

IUPAC(3-ethenyl-2-methylphenyl)methanamine
SMILESC=Cc1cccc(CN)c1C
InChIInChI=1S/C10H13N/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7,11H2,2H3
InChIKeyTXSZTSGXFNOTSA-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.10
Rot. Bonds2

About (3-ethenyl-2-methylphenyl)methanamine

(3-ethenyl-2-methylphenyl)methanamine (PubChem CID 155364833) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3-ethenyl-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethenyl-2-methylphenyl)methanamine
PubChem CID155364833
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3-ethenyl-2-methylphenyl)methanamine
SMILESC=Cc1cccc(CN)c1C
InChIInChI=1S/C10H13N/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7,11H2,2H3
InChIKeyTXSZTSGXFNOTSA-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-3-ethenyl-2-methylbenzene
CID 19022880
(2-tert-butyl-3-ethenylphenyl)methanamine
CID 175177636
2-[(3-ethenyl-2-methylphenyl)methyl]oxirane
CID 22665284
3-ethenyl-2-methylphenol
CID 22336775
1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
CID 142480467
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
2-(3-ethenyl-2-fluorophenyl)ethanamine
CID 130050835
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1-ethenyl-2-methyl-3-(2-methylphenyl)benzene
CID 141001352
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-2-methylphenyl)methanamine?
The IUPAC name of (3-ethenyl-2-methylphenyl)methanamine (CID 155364833) is (3-ethenyl-2-methylphenyl)methanamine.
What is the SMILES notation for (3-ethenyl-2-methylphenyl)methanamine?
The canonical SMILES for (3-ethenyl-2-methylphenyl)methanamine is C=Cc1cccc(CN)c1C.
What is the InChIKey of (3-ethenyl-2-methylphenyl)methanamine?
The InChIKey is TXSZTSGXFNOTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7,11H2,2H3.
What are the key properties of (3-ethenyl-2-methylphenyl)methanamine?
(3-ethenyl-2-methylphenyl)methanamine has a molecular weight of 147.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-2-methylphenyl)methanamine is sourced from PubChem (CID 155364833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).