1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine

C17H20FN — CID 116545345

IUPAC1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1cccc(-c2cc(CNC)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-3-5-13-6-4-7-15(10-13)16-11-14(12-19-2)8-9-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyJJEBXLARVHTGCN-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.16
Rot. Bonds5

About 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine

1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine (PubChem CID 116545345) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
PubChem CID116545345
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1cccc(-c2cc(CNC)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-3-5-13-6-4-7-15(10-13)16-11-14(12-19-2)8-9-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyJJEBXLARVHTGCN-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 63424877
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 107289695
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine (CID 116545345) is 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine is CCCc1cccc(-c2cc(CNC)ccc2F)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is JJEBXLARVHTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-5-13-6-4-7-15(10-13)16-11-14(12-19-2)8-9-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 116545345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).