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

C15H18N2O — CID 115066515

IUPAC[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESCc1ccccc1-c1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C15H18N2O/c1-10-4-2-3-5-12(10)15-17-13-7-6-11(9-16)8-14(13)18-15/h2-5,11H,6-9,16H2,1H3
InChIKeyIPSFFXXLFXTOPA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds2

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

[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (PubChem CID 115066515) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
PubChem CID115066515
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESCc1ccccc1-c1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C15H18N2O/c1-10-4-2-3-5-12(10)15-17-13-7-6-11(9-16)8-14(13)18-15/h2-5,11H,6-9,16H2,1H3
InChIKeyIPSFFXXLFXTOPA-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

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Related Compounds

[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066542
(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066565
[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272
[2-(2-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424704
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506
7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353124
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 60811920

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (CID 115066515) is [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is Cc1ccccc1-c1nc2c(o1)CC(CN)CC2.
What is the InChIKey of [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is IPSFFXXLFXTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-2-3-5-12(10)15-17-13-7-6-11(9-16)8-14(13)18-15/h2-5,11H,6-9,16H2,1H3.
What are the key properties of [2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-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-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 115066515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).