3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline

C15H16FNO — CID 113256867

IUPAC3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline
SMILESCOc1cc(F)cc(NCc2cccc(C)c2)c1
InChIInChI=1S/C15H16FNO/c1-11-4-3-5-12(6-11)10-17-14-7-13(16)8-15(9-14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyMKOPHTZKOWTVEZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.75
Rot. Bonds4

About 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline

3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline (PubChem CID 113256867) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline
PubChem CID113256867
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline
SMILESCOc1cc(F)cc(NCc2cccc(C)c2)c1
InChIInChI=1S/C15H16FNO/c1-11-4-3-5-12(6-11)10-17-14-7-13(16)8-15(9-14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyMKOPHTZKOWTVEZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(3-methylphenyl)methyl]-5-nitroaniline
CID 54944922
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
CID 23848155
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
[3-[(3-methylphenyl)methylamino]phenyl] acetate
CID 82533297
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline (CID 113256867) is 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline is COc1cc(F)cc(NCc2cccc(C)c2)c1.
What is the InChIKey of 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is MKOPHTZKOWTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-4-3-5-12(6-11)10-17-14-7-13(16)8-15(9-14)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline?
3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 113256867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).