1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine

C19H18FN — CID 62600642

IUPAC1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C(N)Cc2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FN/c1-13-11-16(9-10-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19H,12,21H2,1H3
InChIKeyIUDGFVOGJGYWPA-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.53
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine

1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine (PubChem CID 62600642) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
PubChem CID62600642
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C(N)Cc2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FN/c1-13-11-16(9-10-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19H,12,21H2,1H3
InChIKeyIUDGFVOGJGYWPA-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine (CID 62600642) is 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine is Cc1cc(C(N)Cc2cccc3ccccc23)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine?
The InChIKey is IUDGFVOGJGYWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-13-11-16(9-10-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19H,12,21H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine?
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 62600642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).