ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol

C14H23NO — CID 142507494

IUPACethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
SMILESCC.Cc1ccc(C(O)C2CCCN2)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3
InChIKeyQXIDNGUWAYLOSP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds2

About ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol

ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol (PubChem CID 142507494) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
PubChem CID142507494
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
SMILESCC.Cc1ccc(C(O)C2CCCN2)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3
InChIKeyQXIDNGUWAYLOSP-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
CID 59629015
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138481036

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol (CID 142507494) is ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol is CC.Cc1ccc(C(O)C2CCCN2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is QXIDNGUWAYLOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol?
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 221.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 142507494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).