N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine

C15H14ClFN2O — CID 141469201

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESFc1c(Cl)cccc1CNc1ccc2c(c1)OCCN2
InChIInChI=1S/C15H14ClFN2O/c16-12-3-1-2-10(15(12)17)9-19-11-4-5-13-14(8-11)20-7-6-18-13/h1-5,8,18-19H,6-7,9H2
InChIKeyPVJXWRWSFUMTFY-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.90
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine

N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine (PubChem CID 141469201) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
PubChem CID141469201
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESFc1c(Cl)cccc1CNc1ccc2c(c1)OCCN2
InChIInChI=1S/C15H14ClFN2O/c16-12-3-1-2-10(15(12)17)9-19-11-4-5-13-14(8-11)20-7-6-18-13/h1-5,8,18-19H,6-7,9H2
InChIKeyPVJXWRWSFUMTFY-UHFFFAOYSA-N
XLogP3.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115695848
N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 114487520
N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115743043
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732600
N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoro-4-nitroaniline
CID 114487646
6-chloro-N-[(2,3-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63667887

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine (CID 141469201) is N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine is Fc1c(Cl)cccc1CNc1ccc2c(c1)OCCN2.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The InChIKey is PVJXWRWSFUMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-3-1-2-10(15(12)17)9-19-11-4-5-13-14(8-11)20-7-6-18-13/h1-5,8,18-19H,6-7,9H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine has a molecular weight of 292.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 141469201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).