[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol

C15H22N2O — CID 122568409

IUPAC[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C15H22N2O/c18-12-15(7-8-15)11-16-13-6-9-17(10-13)14-4-2-1-3-5-14/h1-5,13,16,18H,6-12H2
InChIKeyAIGQQNYFAHBZMJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.63
Rot. Bonds5

About [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol

[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 122568409) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol
PubChem CID122568409
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C15H22N2O/c18-12-15(7-8-15)11-16-13-6-9-17(10-13)14-4-2-1-3-5-14/h1-5,13,16,18H,6-12H2
InChIKeyAIGQQNYFAHBZMJ-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 111722407
N-[[4-[1-(methylsulfanylamino)ethyl]phenyl]methyl]-1-phenylpyrrolidin-3-amine
CID 130461517
N-[(3R)-1-phenylpyrrolidin-3-yl]-1-prop-2-enylcyclobutane-1-carboxamide
CID 99795131
N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
CID 86819492
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]urea
CID 97219987
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685

Frequently Asked Questions

What is the IUPAC name of [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol (CID 122568409) is [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol is OCC1(CNC2CCN(c3ccccc3)C2)CC1.
What is the InChIKey of [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is AIGQQNYFAHBZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-12-15(7-8-15)11-16-13-6-9-17(10-13)14-4-2-1-3-5-14/h1-5,13,16,18H,6-12H2.
What are the key properties of [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 122568409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).