N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline

C15H16FNO — CID 83961111

IUPACN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
SMILESCOCc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO/c1-18-11-13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyJQOADBXUMULVSD-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline

N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline (PubChem CID 83961111) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
PubChem CID83961111
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
SMILESCOCc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO/c1-18-11-13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyJQOADBXUMULVSD-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-nitroaniline
CID 107334714
4-fluoro-N-(methoxymethyl)aniline
CID 14532460
N-tert-butylsulfanyl-4-[(4-fluoroanilino)methyl]aniline
CID 59231337
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline (CID 83961111) is N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline is COCc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline?
The InChIKey is JQOADBXUMULVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-18-11-13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline?
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline is sourced from PubChem (CID 83961111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).