3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol

C13H19NO2 — CID 115032701

IUPAC3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1ccccc1C1(CN)CCC(O)C1
InChIInChI=1S/C13H19NO2/c1-16-12-5-3-2-4-11(12)13(9-14)7-6-10(15)8-13/h2-5,10,15H,6-9,14H2,1H3
InChIKeyMKCDLMWKSDEDLP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds3

About 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol

3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol (PubChem CID 115032701) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol
PubChem CID115032701
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1ccccc1C1(CN)CCC(O)C1
InChIInChI=1S/C13H19NO2/c1-16-12-5-3-2-4-11(12)13(9-14)7-6-10(15)8-13/h2-5,10,15H,6-9,14H2,1H3
InChIKeyMKCDLMWKSDEDLP-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine
CID 65016714
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
1-[1-(2-methoxyphenyl)cyclopropyl]piperidin-4-ol
CID 167714033
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol (CID 115032701) is 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol is COc1ccccc1C1(CN)CCC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol?
The InChIKey is MKCDLMWKSDEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-12-5-3-2-4-11(12)13(9-14)7-6-10(15)8-13/h2-5,10,15H,6-9,14H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol?
3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 115032701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).