2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine

C18H20FN — CID 105373089

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(F)cc1CC1(N)CCc2ccccc2C1
InChIInChI=1S/C18H20FN/c1-13-6-7-17(19)10-16(13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10H,8-9,11-12,20H2,1H3
InChIKeyDHFMSJOBAKWKDR-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.56
Rot. Bonds2

About 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine

2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 105373089) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID105373089
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(F)cc1CC1(N)CCc2ccccc2C1
InChIInChI=1S/C18H20FN/c1-13-6-7-17(19)10-16(13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10H,8-9,11-12,20H2,1H3
InChIKeyDHFMSJOBAKWKDR-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 105373089) is 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is Cc1ccc(F)cc1CC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is DHFMSJOBAKWKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-6-7-17(19)10-16(13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10H,8-9,11-12,20H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 105373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).