(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine

C10H12N2O — CID 117110114

IUPAC(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine
SMILESCc1noc2c(C)c(CN)ccc12
InChIInChI=1S/C10H12N2O/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3
InChIKeyBZGGJBKEQXKOOI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds1

About (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine

(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine (PubChem CID 117110114) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine
PubChem CID117110114
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine
SMILESCc1noc2c(C)c(CN)ccc12
InChIInChI=1S/C10H12N2O/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3
InChIKeyBZGGJBKEQXKOOI-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
CID 83877468
7-fluoro-3-methyl-1,2-benzoxazol-6-amine
CID 117110148
(3,7-dimethyl-2H-indazol-6-yl)methanamine
CID 117109635
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
(6-amino-3-methyl-1,2-benzoxazol-7-yl)-deuteriomethanone
CID 118553118
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
CID 117282266
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
2-[(7-acetyl-3-methyl-1,2-benzoxazol-6-yl)oxy]acetic acid
CID 15563087
7-chloro-3-methyl-1,2-benzoxazole-6-carbaldehyde
CID 117110078
7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole
CID 167001268
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
CID 165403169

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine?
The IUPAC name of (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine (CID 117110114) is (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine?
The canonical SMILES for (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine is Cc1noc2c(C)c(CN)ccc12.
What is the InChIKey of (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine?
The InChIKey is BZGGJBKEQXKOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3.
What are the key properties of (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine?
(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 117110114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).