N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline

C14H12ClF2N — CID 79054634

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-9-5-10(16)7-11(6-9)18-8-12-13(15)3-2-4-14(12)17/h2-7,18H,8H2,1H3
InChIKeyHUMFBFKEWQHZOB-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.54
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline

N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline (PubChem CID 79054634) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
PubChem CID79054634
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-9-5-10(16)7-11(6-9)18-8-12-13(15)3-2-4-14(12)17/h2-7,18H,8H2,1H3
InChIKeyHUMFBFKEWQHZOB-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
3-bromo-N-[(2,6-difluorophenyl)methyl]-5-methylaniline
CID 107582170
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
N-[(2,6-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334655
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline (CID 79054634) is N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline is Cc1cc(F)cc(NCc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is HUMFBFKEWQHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-5-10(16)7-11(6-9)18-8-12-13(15)3-2-4-14(12)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 267.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).