[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol

C15H22ClNO — CID 114845752

IUPAC[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
SMILESCCC1(CC)CCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C15H22ClNO/c1-3-15(4-2)7-8-17(11-15)14-6-5-13(16)9-12(14)10-18/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyBCPBTPAPXIPLKY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds4

About [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol

[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 114845752) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
PubChem CID114845752
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
SMILESCCC1(CC)CCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C15H22ClNO/c1-3-15(4-2)7-8-17(11-15)14-6-5-13(16)9-12(14)10-18/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyBCPBTPAPXIPLKY-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(chloromethyl)phenyl]-3,3-diethylpyrrolidine
CID 114846776
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319086
5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 114844295
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218552
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
CID 107641033
2-[2-(bromomethyl)-4-chlorophenyl]-2-azaspiro[4.4]nonane
CID 114279392
3-bromo-4-(3,3-diethylpyrrolidin-1-yl)benzoic acid
CID 82800705
N-[[3-chloro-4-(3,3-diethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81146013
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol (CID 114845752) is [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol is CCC1(CC)CCN(c2ccc(Cl)cc2CO)C1.
What is the InChIKey of [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is BCPBTPAPXIPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-15(4-2)7-8-17(11-15)14-6-5-13(16)9-12(14)10-18/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol?
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114845752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).