N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20FN — CID 62123469

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(F)ccc1CNC1CCCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-11-16(19)10-9-15(13)12-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3
InChIKeyHUKPMUICYQPJAS-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.30
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62123469) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62123469
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(F)ccc1CNC1CCCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-11-16(19)10-9-15(13)12-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3
InChIKeyHUKPMUICYQPJAS-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
CID 103948018
4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 107730407
2-fluoro-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 115951009
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772264

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62123469) is N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(F)ccc1CNC1CCCc2ccccc21.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HUKPMUICYQPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-11-16(19)10-9-15(13)12-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 269.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62123469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).