[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine

C15H18N2O — CID 115066018

IUPAC[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3c(o2)CCC(CN)C3)c1
InChIInChI=1S/C15H18N2O/c1-10-3-2-4-12(7-10)15-17-13-8-11(9-16)5-6-14(13)18-15/h2-4,7,11H,5-6,8-9,16H2,1H3
InChIKeyMBZVMUWBIHUXHA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds2

About [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine

[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine (PubChem CID 115066018) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
PubChem CID115066018
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3c(o2)CCC(CN)C3)c1
InChIInChI=1S/C15H18N2O/c1-10-3-2-4-12(7-10)15-17-13-8-11(9-16)5-6-14(13)18-15/h2-4,7,11H,5-6,8-9,16H2,1H3
InChIKeyMBZVMUWBIHUXHA-UHFFFAOYSA-N
XLogP2.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-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

(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
2-(3-isocyanophenyl)-5-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58077088
[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066542
[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066515
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066139
5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076871
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506
(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58077087
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
CID 131872662
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine (CID 115066018) is [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine is Cc1cccc(-c2nc3c(o2)CCC(CN)C3)c1.
What is the InChIKey of [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is MBZVMUWBIHUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-3-2-4-12(7-10)15-17-13-8-11(9-16)5-6-14(13)18-15/h2-4,7,11H,5-6,8-9,16H2,1H3.
What are the key properties of [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 115066018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).