4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C15H16FNO — CID 43408473

IUPAC4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-3-8-15(18-2)12(9-11)10-17-14-6-4-13(16)5-7-14/h3-9,17H,10H2,1-2H3
InChIKeyCVVJAHVSFJEHMQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.75
Rot. Bonds4

About 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 43408473) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID43408473
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-3-8-15(18-2)12(9-11)10-17-14-6-4-13(16)5-7-14/h3-9,17H,10H2,1-2H3
InChIKeyCVVJAHVSFJEHMQ-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

4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
5-fluoro-2-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 79034337
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 43408473) is 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COc1ccc(C)cc1CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is CVVJAHVSFJEHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-3-8-15(18-2)12(9-11)10-17-14-6-4-13(16)5-7-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
4-fluoro-N-[(2-methoxy-5-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 4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 43408473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).