1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C18H21FN2 — CID 115418694

IUPAC1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H21FN2/c1-13-9-10-18(12-20,17-8-3-2-7-16(13)17)21-15-6-4-5-14(19)11-15/h2-8,11,13,21H,9-10,12,20H2,1H3
InChIKeyLIBZHEZOUNRUAM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.99
Rot. Bonds3

About 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115418694) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115418694
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(CN)(Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H21FN2/c1-13-9-10-18(12-20,17-8-3-2-7-16(13)17)21-15-6-4-5-14(19)11-15/h2-8,11,13,21H,9-10,12,20H2,1H3
InChIKeyLIBZHEZOUNRUAM-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418719
3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
CID 113305944
1-(aminomethyl)-N-but-3-ynyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 116641058
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
CID 65382978
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115418694) is 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is CC1CCC(CN)(Nc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is LIBZHEZOUNRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-9-10-18(12-20,17-8-3-2-7-16(13)17)21-15-6-4-5-14(19)11-15/h2-8,11,13,21H,9-10,12,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115418694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).