3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine

C17H25NO — CID 63726468

IUPAC3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC2CCOCC2)C1
InChIInChI=1S/C17H25NO/c1-13-4-2-3-5-17(13)15-10-16(11-15)18-12-14-6-8-19-9-7-14/h2-5,14-16,18H,6-12H2,1H3
InChIKeyHTZBSTJULRXXDJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds4

About 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine (PubChem CID 63726468) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
PubChem CID63726468
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC2CCOCC2)C1
InChIInChI=1S/C17H25NO/c1-13-4-2-3-5-17(13)15-10-16(11-15)18-12-14-6-8-19-9-7-14/h2-5,14-16,18H,6-12H2,1H3
InChIKeyHTZBSTJULRXXDJ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine 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

N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 163745529
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
CID 62385559
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine (CID 63726468) is 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCC2CCOCC2)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is HTZBSTJULRXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-4-2-3-5-17(13)15-10-16(11-15)18-12-14-6-8-19-9-7-14/h2-5,14-16,18H,6-12H2,1H3.
What are the key properties of 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 63726468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).