5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline

C19H18FN — CID 43107692

IUPAC5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C19H18FN/c1-13-7-10-18(20)12-19(13)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14,21H,1-2H3
InChIKeyUVOPUZOWYYWQBW-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.46
Rot. Bonds3

About 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline

5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43107692) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43107692
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C19H18FN/c1-13-7-10-18(20)12-19(13)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14,21H,1-2H3
InChIKeyUVOPUZOWYYWQBW-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 43195454
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline (CID 43107692) is 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline is Cc1ccc(F)cc1NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is UVOPUZOWYYWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-13-7-10-18(20)12-19(13)21-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12,14,21H,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline?
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 279.36 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43107692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).