1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

C14H21FN2O — CID 116958531

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-9-14(6-7-14)13(17-2)10-4-5-12(18-3)11(15)8-10/h4-5,8,13,16-17H,6-7,9H2,1-3H3
InChIKeyBKOHHKKVQIBCDR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.09
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116958531) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116958531
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-9-14(6-7-14)13(17-2)10-4-5-12(18-3)11(15)8-10/h4-5,8,13,16-17H,6-7,9H2,1-3H3
InChIKeyBKOHHKKVQIBCDR-UHFFFAOYSA-N
XLogP2.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958555
(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943546
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116958531) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(NC)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is BKOHHKKVQIBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-9-14(6-7-14)13(17-2)10-4-5-12(18-3)11(15)8-10/h4-5,8,13,16-17H,6-7,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116958531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).