N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

C15H15ClFNO — CID 65022563

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-4-6-15(19-2)12(16)8-11/h3-8,18H,9H2,1-2H3
InChIKeyAHYVCQCVRNXNDM-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 65022563) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID65022563
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-4-6-15(19-2)12(16)8-11/h3-8,18H,9H2,1-2H3
InChIKeyAHYVCQCVRNXNDM-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
5-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 102852974
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (CID 65022563) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is COc1ccc(CNc2cc(C)ccc2F)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is AHYVCQCVRNXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-4-6-15(19-2)12(16)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline has a molecular weight of 279.74 g/mol, XLogP of 4.41, 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-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 65022563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).