N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FN — CID 79054379

IUPACN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(F)cc(NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H18FN/c1-12-9-14(18)11-15(10-12)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-11,17,19H,4,6,8H2,1H3
InChIKeyNNWITWFANRNNMG-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.62
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79054379) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79054379
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(F)cc(NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H18FN/c1-12-9-14(18)11-15(10-12)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-11,17,19H,4,6,8H2,1H3
InChIKeyNNWITWFANRNNMG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
N-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448599
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 146303538
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107591425
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815052

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79054379) is N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(F)cc(NC2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NNWITWFANRNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-9-14(18)11-15(10-12)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-11,17,19H,4,6,8H2,1H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79054379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).