N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline

C14H12ClF2NO — CID 43410818

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-14-5-2-10(15)6-9(14)8-18-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3
InChIKeyIHWZGQLINXJZEF-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.24
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline (PubChem CID 43410818) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
PubChem CID43410818
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-14-5-2-10(15)6-9(14)8-18-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3
InChIKeyIHWZGQLINXJZEF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 115761993
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-nitroaniline
CID 82862816
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline (CID 43410818) is N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline is COc1ccc(Cl)cc1CNc1ccc(F)c(F)c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline?
The InChIKey is IHWZGQLINXJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-14-5-2-10(15)6-9(14)8-18-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline?
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline has a molecular weight of 283.71 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 43410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).