3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline

C18H16FN — CID 63453833

IUPAC3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1c(F)cccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H16FN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3
InChIKeyMDYTWHYGEODUSN-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.90
Rot. Bonds3

About 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline

3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 63453833) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
PubChem CID63453833
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1c(F)cccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H16FN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3
InChIKeyMDYTWHYGEODUSN-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline (CID 63453833) is 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline is Cc1c(F)cccc1NCc1cccc2ccccc12.
What is the InChIKey of 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is MDYTWHYGEODUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3.
What are the key properties of 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 265.33 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 63453833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).