N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline

C14H13ClFNO — CID 81144109

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO/c1-18-12-4-2-3-11(8-12)17-9-10-5-6-14(16)13(15)7-10/h2-8,17H,9H2,1H3
InChIKeyAYSTWATXYRRUSY-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.10
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline

N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline (PubChem CID 81144109) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
PubChem CID81144109
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO/c1-18-12-4-2-3-11(8-12)17-9-10-5-6-14(16)13(15)7-10/h2-8,17H,9H2,1H3
InChIKeyAYSTWATXYRRUSY-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
CID 65022702

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline (CID 81144109) is N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline is COc1cccc(NCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline?
The InChIKey is AYSTWATXYRRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-12-4-2-3-11(8-12)17-9-10-5-6-14(16)13(15)7-10/h2-8,17H,9H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline?
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline has a molecular weight of 265.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 81144109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).