[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol

C18H28N2O2 — CID 72931309

IUPAC[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
SMILESCC(C)Oc1ccc(CN2C[C@H](C3CC3)[C@@H](N)C2)cc1CO
InChIInChI=1S/C18H28N2O2/c1-12(2)22-18-6-3-13(7-15(18)11-21)8-20-9-16(14-4-5-14)17(19)10-20/h3,6-7,12,14,16-17,21H,4-5,8-11,19H2,1-2H3/t16-,17+/m1/s1
InChIKeyOHAAOTSGILVPQF-SJORKVTESA-N
MW304.43 g/mol
LogP2.14
Rot. Bonds6

About [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol

[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol (PubChem CID 72931309) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
PubChem CID72931309
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
SMILESCC(C)Oc1ccc(CN2C[C@H](C3CC3)[C@@H](N)C2)cc1CO
InChIInChI=1S/C18H28N2O2/c1-12(2)22-18-6-3-13(7-15(18)11-21)8-20-9-16(14-4-5-14)17(19)10-20/h3,6-7,12,14,16-17,21H,4-5,8-11,19H2,1-2H3/t16-,17+/m1/s1
InChIKeyOHAAOTSGILVPQF-SJORKVTESA-N
XLogP2.14
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol with MolForge

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Related Compounds

4-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 156603284
(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 30675368
(9aR)-2-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95130582
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
[5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
CID 97131931
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
CID 135099507
[2-propan-2-yloxy-5-[[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]amino]methyl]phenyl]methanol
CID 25460889
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
2-[2-[[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 133121312
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370

Frequently Asked Questions

What is the IUPAC name of [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol?
The IUPAC name of [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol (CID 72931309) is [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol.
What is the SMILES notation for [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol?
The canonical SMILES for [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol is CC(C)Oc1ccc(CN2C[C@H](C3CC3)[C@@H](N)C2)cc1CO.
What is the InChIKey of [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol?
The InChIKey is OHAAOTSGILVPQF-SJORKVTESA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)22-18-6-3-13(7-15(18)11-21)8-20-9-16(14-4-5-14)17(19)10-20/h3,6-7,12,14,16-17,21H,4-5,8-11,19H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol?
[5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol has a molecular weight of 304.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol is sourced from PubChem (CID 72931309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).