4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol

C15H22N2O — CID 115715680

IUPAC4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
SMILESCC1CC(NCc2ccc(O)cc2)CN1C1CC1
InChIInChI=1S/C15H22N2O/c1-11-8-13(10-17(11)14-4-5-14)16-9-12-2-6-15(18)7-3-12/h2-3,6-7,11,13-14,16,18H,4-5,8-10H2,1H3
InChIKeyADPGAQLPOHWRRK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.11
Rot. Bonds4

About 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol

4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 115715680) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
PubChem CID115715680
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
SMILESCC1CC(NCc2ccc(O)cc2)CN1C1CC1
InChIInChI=1S/C15H22N2O/c1-11-8-13(10-17(11)14-4-5-14)16-9-12-2-6-15(18)7-3-12/h2-3,6-7,11,13-14,16,18H,4-5,8-10H2,1H3
InChIKeyADPGAQLPOHWRRK-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
4-[(cyclopentylamino)methyl]phenol
CID 3873791
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
CID 107230022
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol (CID 115715680) is 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol is CC1CC(NCc2ccc(O)cc2)CN1C1CC1.
What is the InChIKey of 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is ADPGAQLPOHWRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-13(10-17(11)14-4-5-14)16-9-12-2-6-15(18)7-3-12/h2-3,6-7,11,13-14,16,18H,4-5,8-10H2,1H3.
What are the key properties of 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol?
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 115715680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).