4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

C18H20FN — CID 63772264

IUPAC4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCC1CCCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3
InChIKeyMERRENHGOMFWTC-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.67
Rot. Bonds3

About 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (PubChem CID 63772264) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
PubChem CID63772264
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCC1CCCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3
InChIKeyMERRENHGOMFWTC-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772262
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 103585674
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62123469
2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (CID 63772264) is 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is Cc1cc(F)ccc1NCC1CCCc2ccccc21.
What is the InChIKey of 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The InChIKey is MERRENHGOMFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline has a molecular weight of 269.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 63772264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).