1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C18H20FNO — CID 82791632

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cccc(OC)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H20FNO/c1-20-17(14-9-6-10-15(21-2)16(14)19)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyUKIWFVWBAOTUPL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 82791632) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID82791632
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cccc(OC)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H20FNO/c1-20-17(14-9-6-10-15(21-2)16(14)19)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyUKIWFVWBAOTUPL-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63078449
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 106645549
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 82791632) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CNC(c1cccc(OC)c1F)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is UKIWFVWBAOTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-17(14-9-6-10-15(21-2)16(14)19)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 285.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 82791632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).