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

C14H13ClFNO — CID 28878919

IUPAC2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(16)8-13(14)15/h2-8,17H,9H2,1H3
InChIKeyRBCFYYURHAPMQM-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.10
Rot. Bonds4

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

2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 28878919) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID28878919
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(16)8-13(14)15/h2-8,17H,9H2,1H3
InChIKeyRBCFYYURHAPMQM-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

2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
2-chloro-4-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 28878908
5-fluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 62377280
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 29079789
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline (CID 28878919) is 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is RBCFYYURHAPMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-12-4-2-3-10(7-12)9-17-14-6-5-11(16)8-13(14)15/h2-8,17H,9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline?
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline 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 2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 28878919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).