[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol

C12H17NO2 — CID 117296076

IUPAC[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1C1(CN)CC1
InChIInChI=1S/C12H17NO2/c1-15-11-9(7-14)3-2-4-10(11)12(8-13)5-6-12/h2-4,14H,5-8,13H2,1H3
InChIKeyGMAYDHWNEVJZBZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.18
Rot. Bonds4

About [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol

[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol (PubChem CID 117296076) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol
PubChem CID117296076
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1C1(CN)CC1
InChIInChI=1S/C12H17NO2/c1-15-11-9(7-14)3-2-4-10(11)12(8-13)5-6-12/h2-4,14H,5-8,13H2,1H3
InChIKeyGMAYDHWNEVJZBZ-UHFFFAOYSA-N
XLogP1.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472

Frequently Asked Questions

What is the IUPAC name of [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol?
The IUPAC name of [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol (CID 117296076) is [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol is COc1c(CO)cccc1C1(CN)CC1.
What is the InChIKey of [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol?
The InChIKey is GMAYDHWNEVJZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-9(7-14)3-2-4-10(11)12(8-13)5-6-12/h2-4,14H,5-8,13H2,1H3.
What are the key properties of [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol?
[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 117296076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).