1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol

C14H20ClNO — CID 106869306

IUPAC1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc(CN2CCC(C(C)O)C2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-13(14(15)7-10)9-16-6-5-12(8-16)11(2)17/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3
InChIKeyGDZPVTGWLLRFPO-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.85
Rot. Bonds3

About 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 106869306) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID106869306
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc(CN2CCC(C(C)O)C2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-13(14(15)7-10)9-16-6-5-12(8-16)11(2)17/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3
InChIKeyGDZPVTGWLLRFPO-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-4-methylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 106865351
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
CID 124865065
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
3-chloro-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102668001
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 106869306) is 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol is Cc1ccc(CN2CCC(C(C)O)C2)c(Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GDZPVTGWLLRFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-3-4-13(14(15)7-10)9-16-6-5-12(8-16)11(2)17/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 253.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 106869306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).