[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol

C17H26N2O2 — CID 86786579

IUPAC[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccccc1CNC1CCOC1
InChIInChI=1S/C17H26N2O2/c20-12-17-6-3-8-19(17)11-15-5-2-1-4-14(15)10-18-16-7-9-21-13-16/h1-2,4-5,16-18,20H,3,6-13H2
InChIKeyMRGQRPMHIAQTRD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds6

About [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol

[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 86786579) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID86786579
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccccc1CNC1CCOC1
InChIInChI=1S/C17H26N2O2/c20-12-17-6-3-8-19(17)11-15-5-2-1-4-14(15)10-18-16-7-9-21-13-16/h1-2,4-5,16-18,20H,3,6-13H2
InChIKeyMRGQRPMHIAQTRD-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
(E)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide
CID 132970854
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
CID 97349470
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
1-[6-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 102563271
1-[6-[[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 99798306
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 15504357

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol (CID 86786579) is [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccccc1CNC1CCOC1.
What is the InChIKey of [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MRGQRPMHIAQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-12-17-6-3-8-19(17)11-15-5-2-1-4-14(15)10-18-16-7-9-21-13-16/h1-2,4-5,16-18,20H,3,6-13H2.
What are the key properties of [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 86786579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).