[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol

C18H25NO — CID 174393109

IUPAC[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol
SMILESCc1cc2c(cc1CO)CCC(CCC1CCCN1)=C2
InChIInChI=1S/C18H25NO/c1-13-9-16-10-14(5-7-18-3-2-8-19-18)4-6-15(16)11-17(13)12-20/h9-11,18-20H,2-8,12H2,1H3
InChIKeyIJJGHJSFQVZVRH-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.35
Rot. Bonds4

About [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol

[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol (PubChem CID 174393109) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol
PubChem CID174393109
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol
SMILESCc1cc2c(cc1CO)CCC(CCC1CCCN1)=C2
InChIInChI=1S/C18H25NO/c1-13-9-16-10-14(5-7-18-3-2-8-19-18)4-6-15(16)11-17(13)12-20/h9-11,18-20H,2-8,12H2,1H3
InChIKeyIJJGHJSFQVZVRH-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
CID 174394471
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553
ethane;2-piperidin-2-ylethanol
CID 91203064
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol?
The IUPAC name of [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol (CID 174393109) is [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol.
What is the SMILES notation for [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol?
The canonical SMILES for [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol is Cc1cc2c(cc1CO)CCC(CCC1CCCN1)=C2.
What is the InChIKey of [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol?
The InChIKey is IJJGHJSFQVZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-9-16-10-14(5-7-18-3-2-8-19-18)4-6-15(16)11-17(13)12-20/h9-11,18-20H,2-8,12H2,1H3.
What are the key properties of [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol?
[3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol has a molecular weight of 271.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-(2-pyrrolidin-2-ylethyl)-7,8-dihydronaphthalen-2-yl]methanol is sourced from PubChem (CID 174393109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).