2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol

C17H26N2O — CID 106599046

IUPAC2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-12-5-8-17(20)16(10-12)13(2)19(15-6-7-15)11-14-4-3-9-18-14/h5,8,10,13-15,18,20H,3-4,6-7,9,11H2,1-2H3
InChIKeyNEJGEQXOSZHIAR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds5

About 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol

2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol (PubChem CID 106599046) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
PubChem CID106599046
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-12-5-8-17(20)16(10-12)13(2)19(15-6-7-15)11-14-4-3-9-18-14/h5,8,10,13-15,18,20H,3-4,6-7,9,11H2,1-2H3
InChIKeyNEJGEQXOSZHIAR-UHFFFAOYSA-N
XLogP2.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
CID 65058314
2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106604519
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599163
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599064
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol (CID 106599046) is 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)N(CC2CCCN2)C2CC2)c1.
What is the InChIKey of 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol?
The InChIKey is NEJGEQXOSZHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-8-17(20)16(10-12)13(2)19(15-6-7-15)11-14-4-3-9-18-14/h5,8,10,13-15,18,20H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol?
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol has a molecular weight of 274.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol is sourced from PubChem (CID 106599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).