[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine

C14H17N — CID 146244829

IUPAC[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
SMILESCC1C=CC=C(c2ccc(CN)cc2)C1
InChIInChI=1S/C14H17N/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-8,11H,9-10,15H2,1H3
InChIKeyXNTFZHWXNCBVKA-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.12
Rot. Bonds2

About [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine

[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine (PubChem CID 146244829) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
PubChem CID146244829
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
SMILESCC1C=CC=C(c2ccc(CN)cc2)C1
InChIInChI=1S/C14H17N/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-8,11H,9-10,15H2,1H3
InChIKeyXNTFZHWXNCBVKA-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
CID 166668066
2-[3-(4-bromophenyl)phenyl]-4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 163916839
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257
[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
CID 143064317
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-methyl-3-[5-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 88988246
3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]
CID 145291435
[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
CID 163959689
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
[4-(3,5-dimethyl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
CID 174773540
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
(4-dimethylphosphanylphenyl)methanamine;ethane
CID 143900280

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine?
The IUPAC name of [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine (CID 146244829) is [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine is CC1C=CC=C(c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine?
The InChIKey is XNTFZHWXNCBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-8,11H,9-10,15H2,1H3.
What are the key properties of [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine?
[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine has a molecular weight of 199.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine is sourced from PubChem (CID 146244829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).