1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine

C18H20FN — CID 114605471

IUPAC1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C18H20FN/c1-20-12-13-9-10-17(18(19)11-13)16-8-3-2-7-15(16)14-5-4-6-14/h2-3,7-11,14,20H,4-6,12H2,1H3
InChIKeyDKMYYJDDUVVNFT-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine

1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 114605471) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine
PubChem CID114605471
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C18H20FN/c1-20-12-13-9-10-17(18(19)11-13)16-8-3-2-7-15(16)14-5-4-6-14/h2-3,7-11,14,20H,4-6,12H2,1H3
InChIKeyDKMYYJDDUVVNFT-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N',N'-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,3-diamine
CID 21936448
N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,3-diamine
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N-benzyl-2-(2-fluorophenyl)ethanamine
CID 1817797
N,N-Diethyl-N'-(4'-trifluoromethylbiphenyl-4-ylmethyl)-ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine (CID 114605471) is 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2ccccc2C2CCC2)c(F)c1.
What is the InChIKey of 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is DKMYYJDDUVVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-20-12-13-9-10-17(18(19)11-13)16-8-3-2-7-15(16)14-5-4-6-14/h2-3,7-11,14,20H,4-6,12H2,1H3.
What are the key properties of 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclobutylphenyl)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114605471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).