[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine

C18H24N2 — CID 143050381

IUPAC[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine
SMILESCC1(CN)CN(C(C2=CCCC=C2)c2ccccc2)C1
InChIInChI=1S/C18H24N2/c1-18(12-19)13-20(14-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-6,8-11,17H,3,7,12-14,19H2,1H3
InChIKeyDTNHONWGAZJQGB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.28
Rot. Bonds4

About [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine

[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine (PubChem CID 143050381) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine
PubChem CID143050381
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine
SMILESCC1(CN)CN(C(C2=CCCC=C2)c2ccccc2)C1
InChIInChI=1S/C18H24N2/c1-18(12-19)13-20(14-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-6,8-11,17H,3,7,12-14,19H2,1H3
InChIKeyDTNHONWGAZJQGB-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
CID 142975175
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
CID 142914167
1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
CID 118370203
[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 120846989
[(2R,5S)-4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-2,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 174340514
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine?
The IUPAC name of [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine (CID 143050381) is [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine.
What is the SMILES notation for [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine?
The canonical SMILES for [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine is CC1(CN)CN(C(C2=CCCC=C2)c2ccccc2)C1.
What is the InChIKey of [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine?
The InChIKey is DTNHONWGAZJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(12-19)13-20(14-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-6,8-11,17H,3,7,12-14,19H2,1H3.
What are the key properties of [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine?
[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-3-methylazetidin-3-yl]methanamine is sourced from PubChem (CID 143050381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).