(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride

C15H24ClNO — CID 135313112

IUPAC(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](O)[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(17)13-5-4-10-16-13;/h6-9,13-14,16-17H,4-5,10H2,1-3H3;1H/t13-,14+;/m1./s1
InChIKeyAANXXJKNWNNAEC-DFQHDRSWSA-N
MW269.82 g/mol
LogP3.19
Rot. Bonds2

About (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride

(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 135313112) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID135313112
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](O)[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(17)13-5-4-10-16-13;/h6-9,13-14,16-17H,4-5,10H2,1-3H3;1H/t13-,14+;/m1./s1
InChIKeyAANXXJKNWNNAEC-DFQHDRSWSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide
CID 10540299
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
CID 59629015
(2R)-2-[bis(3,5-ditert-butylphenyl)methyl]pyrrolidine
CID 59628646
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677

Frequently Asked Questions

What is the IUPAC name of (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride (CID 135313112) is (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride is CC(C)(C)c1ccc([C@H](O)[C@H]2CCCN2)cc1.Cl.
What is the InChIKey of (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is AANXXJKNWNNAEC-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(17)13-5-4-10-16-13;/h6-9,13-14,16-17H,4-5,10H2,1-3H3;1H/t13-,14+;/m1./s1.
What are the key properties of (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride?
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 135313112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).