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

C14H15ClN2O — CID 115066542

IUPAC[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESNCC1CCc2nc(-c3ccc(Cl)cc3)oc2C1
InChIInChI=1S/C14H15ClN2O/c15-11-4-2-10(3-5-11)14-17-12-6-1-9(8-16)7-13(12)18-14/h2-5,9H,1,6-8,16H2
InChIKeyACWQEGVUIMHXGN-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.06
Rot. Bonds2

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

[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (PubChem CID 115066542) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
PubChem CID115066542
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESNCC1CCc2nc(-c3ccc(Cl)cc3)oc2C1
InChIInChI=1S/C14H15ClN2O/c15-11-4-2-10(3-5-11)14-17-12-6-1-9(8-16)7-13(12)18-14/h2-5,9H,1,6-8,16H2
InChIKeyACWQEGVUIMHXGN-UHFFFAOYSA-N
XLogP3.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine with MolForge

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Related Compounds

(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066515
(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484
(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol
CID 143395972
[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine
CID 115066945
5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 14801704
2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066532
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506
[2-(3,4-dichlorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81492708
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (CID 115066542) is [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is NCC1CCc2nc(-c3ccc(Cl)cc3)oc2C1.
What is the InChIKey of [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is ACWQEGVUIMHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-4-2-10(3-5-11)14-17-12-6-1-9(8-16)7-13(12)18-14/h2-5,9H,1,6-8,16H2.
What are the key properties of [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 115066542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).