4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline

C17H18FN — CID 82132113

IUPAC4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18FN/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h5-11,19H,1-4,12H2
InChIKeyHUTMNRRWIOMCHK-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.32
Rot. Bonds3

About 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline

4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline (PubChem CID 82132113) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
PubChem CID82132113
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18FN/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h5-11,19H,1-4,12H2
InChIKeyHUTMNRRWIOMCHK-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
CID 79034163
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-difluoroaniline
CID 107610897

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline (CID 82132113) is 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline is Fc1ccc(NCc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline?
The InChIKey is HUTMNRRWIOMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h5-11,19H,1-4,12H2.
What are the key properties of 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline?
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline has a molecular weight of 255.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 82132113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).