4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

C18H29NO2 — CID 70764780

IUPAC4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCOC[C@@H]1CCCN1Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C18H29NO2/c1-18(2,20)11-10-15-6-8-16(9-7-15)13-19-12-4-5-17(19)14-21-3/h6-9,17,20H,4-5,10-14H2,1-3H3/t17-/m0/s1
InChIKeyDZSKGJDERMLQHX-KRWDZBQOSA-N
MW291.44 g/mol
LogP3.00
Rot. Bonds7

About 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (PubChem CID 70764780) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
PubChem CID70764780
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCOC[C@@H]1CCCN1Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C18H29NO2/c1-18(2,20)11-10-15-6-8-16(9-7-15)13-19-12-4-5-17(19)14-21-3/h6-9,17,20H,4-5,10-14H2,1-3H3/t17-/m0/s1
InChIKeyDZSKGJDERMLQHX-KRWDZBQOSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 78084914
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
(2S)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70742179
2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99947078
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylbenzamide
CID 70846094
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 71150761
4-[4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70773562
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (CID 70764780) is 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is COC[C@@H]1CCCN1Cc1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The InChIKey is DZSKGJDERMLQHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,20)11-10-15-6-8-16(9-7-15)13-19-12-4-5-17(19)14-21-3/h6-9,17,20H,4-5,10-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 70764780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).