1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C18H20FNO — CID 105052597

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(F)c(OC)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20FNO/c1-20-18(13-8-9-16(19)17(10-13)21-2)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,20H,11H2,1-2H3
InChIKeyJXNNAZJDOVFRNO-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105052597) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105052597
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(F)c(OC)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20FNO/c1-20-18(13-8-9-16(19)17(10-13)21-2)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,20H,11H2,1-2H3
InChIKeyJXNNAZJDOVFRNO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105052597) is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1ccc(F)c(OC)c1)C1CC1c1ccccc1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is JXNNAZJDOVFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-18(13-8-9-16(19)17(10-13)21-2)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,20H,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 285.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).