[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine

C15H19ClN2O — CID 115442861

IUPAC[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H19ClN2O/c1-10-4-6-15(9-17,7-5-10)14-18-12-3-2-11(16)8-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyKOLPPAVLSUJVQI-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.89
Rot. Bonds2

About [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine

[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 115442861) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID115442861
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H19ClN2O/c1-10-4-6-15(9-17,7-5-10)14-18-12-3-2-11(16)8-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyKOLPPAVLSUJVQI-UHFFFAOYSA-N
XLogP3.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195
[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
CID 115451004
[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
CID 102696737
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole
CID 81433134
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 81433048
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83835155

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine (CID 115442861) is [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is KOLPPAVLSUJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-4-6-15(9-17,7-5-10)14-18-12-3-2-11(16)8-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3.
What are the key properties of [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 278.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115442861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).