[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol

C12H16FNO2 — CID 116943189

IUPAC[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1ccc(C(N)C2(CO)CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-10-3-2-8(6-9(10)13)11(14)12(7-15)4-5-12/h2-3,6,11,15H,4-5,7,14H2,1H3
InChIKeyJKPVJZKTKLHOIH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.61
Rot. Bonds4

About [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol

[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol (PubChem CID 116943189) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
PubChem CID116943189
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1ccc(C(N)C2(CO)CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-10-3-2-8(6-9(10)13)11(14)12(7-15)4-5-12/h2-3,6,11,15H,4-5,7,14H2,1H3
InChIKeyJKPVJZKTKLHOIH-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943546
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol (CID 116943189) is [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol is COc1ccc(C(N)C2(CO)CC2)cc1F.
What is the InChIKey of [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol?
The InChIKey is JKPVJZKTKLHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-10-3-2-8(6-9(10)13)11(14)12(7-15)4-5-12/h2-3,6,11,15H,4-5,7,14H2,1H3.
What are the key properties of [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol?
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116943189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).