[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol

C15H24N2O2 — CID 102777483

IUPAC[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCCOc1cc(N2CCC(C)C2CO)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-8-19-15-9-12(4-5-13(15)16)17-7-6-11(2)14(17)10-18/h4-5,9,11,14,18H,3,6-8,10,16H2,1-2H3
InChIKeyVVEXVCSMXGAIBV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds5

About [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol

[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777483) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777483
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCCOc1cc(N2CCC(C)C2CO)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-8-19-15-9-12(4-5-13(15)16)17-7-6-11(2)14(17)10-18/h4-5,9,11,14,18H,3,6-8,10,16H2,1-2H3
InChIKeyVVEXVCSMXGAIBV-UHFFFAOYSA-N
XLogP2.26
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
CID 63678334
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
CID 63671675
2-[2-amino-5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]acetonitrile
CID 102777273
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
CID 63671664
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
CID 63678140
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxyaniline
CID 115558926
2-propoxy-4-thiomorpholin-4-ylaniline
CID 63672277

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777483) is [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol is CCCOc1cc(N2CCC(C)C2CO)ccc1N.
What is the InChIKey of [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VVEXVCSMXGAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-8-19-15-9-12(4-5-13(15)16)17-7-6-11(2)14(17)10-18/h4-5,9,11,14,18H,3,6-8,10,16H2,1-2H3.
What are the key properties of [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).