1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine

C18H20FN — CID 103943652

IUPAC1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(F)cc1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20FN/c1-13-7-10-17(19)11-16(13)12-20-18(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3
InChIKeyHSDHRKAVURVZKH-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.38
Rot. Bonds5

About 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine (PubChem CID 103943652) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
PubChem CID103943652
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(F)cc1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20FN/c1-13-7-10-17(19)11-16(13)12-20-18(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3
InChIKeyHSDHRKAVURVZKH-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
CID 81027097
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine (CID 103943652) is 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine is Cc1ccc(F)cc1CNC(c1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is HSDHRKAVURVZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-7-10-17(19)11-16(13)12-20-18(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 103943652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).