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

C14H17N — CID 143064317

IUPAC[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
SMILESCC1C=CC(c2cccc(CN)c2)=CC1
InChIInChI=1S/C14H17N/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-5,7-9,11H,6,10,15H2,1H3
InChIKeyRTXSCSMAWUUTBA-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.12
Rot. Bonds2

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

[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine (PubChem CID 143064317) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
PubChem CID143064317
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
SMILESCC1C=CC(c2cccc(CN)c2)=CC1
InChIInChI=1S/C14H17N/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-5,7-9,11H,6,10,15H2,1H3
InChIKeyRTXSCSMAWUUTBA-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

[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
(Z)-3-(3-bromophenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-1-amine;phenylmethanamine
CID 143099593
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
CID 163959689
[3-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]methanamine
CID 105458271
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate
CID 139986719

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine (CID 143064317) is [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine is CC1C=CC(c2cccc(CN)c2)=CC1.
What is the InChIKey of [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine?
The InChIKey is RTXSCSMAWUUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-5,7-9,11H,6,10,15H2,1H3.
What are the key properties of [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine?
[3-(4-methylcyclohexa-1,5-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 [3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine is sourced from PubChem (CID 143064317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).