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

C19H22FN — CID 114349753

IUPAC[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCc2ccccc2C1
InChIInChI=1S/C19H22FN/c1-14-10-18(20)7-6-16(14)11-19(13-21)9-8-15-4-2-3-5-17(15)12-19/h2-7,10H,8-9,11-13,21H2,1H3
InChIKeyUKWPAIFNJNTWHW-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.81
Rot. Bonds3

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

[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 114349753) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID114349753
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCc2ccccc2C1
InChIInChI=1S/C19H22FN/c1-14-10-18(20)7-6-16(14)11-19(13-21)9-8-15-4-2-3-5-17(15)12-19/h2-7,10H,8-9,11-13,21H2,1H3
InChIKeyUKWPAIFNJNTWHW-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 114349753) is [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine is Cc1cc(F)ccc1CC1(CN)CCc2ccccc2C1.
What is the InChIKey of [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is UKWPAIFNJNTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-14-10-18(20)7-6-16(14)11-19(13-21)9-8-15-4-2-3-5-17(15)12-19/h2-7,10H,8-9,11-13,21H2,1H3.
What are the key properties of [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 283.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 114349753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).