[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

C14H21NO2 — CID 112612262

IUPAC[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCCN1CCCC1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-16)14(12)17-10-9-15-7-2-3-8-15/h4-6,16H,2-3,7-11H2,1H3
InChIKeyMHEJUHZWIBAMPK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds5

About [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (PubChem CID 112612262) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
PubChem CID112612262
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCCN1CCCC1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-16)14(12)17-10-9-15-7-2-3-8-15/h4-6,16H,2-3,7-11H2,1H3
InChIKeyMHEJUHZWIBAMPK-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
CID 82885876
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
(2-decoxy-3-methylphenyl)methanol
CID 115956202
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (CID 112612262) is [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is Cc1cccc(CO)c1OCCN1CCCC1.
What is the InChIKey of [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The InChIKey is MHEJUHZWIBAMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-5-4-6-13(11-16)14(12)17-10-9-15-7-2-3-8-15/h4-6,16H,2-3,7-11H2,1H3.
What are the key properties of [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 112612262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).