(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine

C11H14N2O — CID 82357425

IUPAC(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
SMILESCC(C)c1nc2ccc(CN)cc2o1
InChIInChI=1S/C11H14N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3
InChIKeyYDHVBHWFJKOMQT-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.41
Rot. Bonds2

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

(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine (PubChem CID 82357425) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
PubChem CID82357425
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
SMILESCC(C)c1nc2ccc(CN)cc2o1
InChIInChI=1S/C11H14N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3
InChIKeyYDHVBHWFJKOMQT-UHFFFAOYSA-N
XLogP2.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]phenyl]methanamine
CID 117098416
2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
CID 117098400
4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]aniline
CID 117098415
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357482
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine
CID 83898302
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
CID 166557495

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine?
The IUPAC name of (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine (CID 82357425) is (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine?
The canonical SMILES for (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine is CC(C)c1nc2ccc(CN)cc2o1.
What is the InChIKey of (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine?
The InChIKey is YDHVBHWFJKOMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine?
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine has a molecular weight of 190.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 82357425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).