3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol

C18H23NO2 — CID 64520625

IUPAC3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCCN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C18H23NO2/c20-12-1-2-15-5-9-18(10-6-15)21-13-11-19(17-7-8-17)14-16-3-4-16/h5-6,9-10,16-17,20H,3-4,7-8,11-14H2
InChIKeySUWMSYDJOFAQPD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.28
Rot. Bonds7

About 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol

3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 64520625) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID64520625
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCCN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C18H23NO2/c20-12-1-2-15-5-9-18(10-6-15)21-13-11-19(17-7-8-17)14-16-3-4-16/h5-6,9-10,16-17,20H,3-4,7-8,11-14H2
InChIKeySUWMSYDJOFAQPD-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol 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

3-[4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 64521221
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
3-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54994778
3-[4-(2-cyclopentylsulfanylethoxy)phenyl]prop-2-yn-1-ol
CID 63115354
3-[4-(2-butoxyethoxy)phenyl]prop-2-yn-1-ol
CID 54956139
3-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 115987091
3-[5-[[cyclopropyl(cyclopropylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 64521626
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
CID 54945677
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
3-[cyclobutyl-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]amino]propan-1-ol
CID 102869751
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol (CID 64520625) is 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(OCCN(CC2CC2)C2CC2)cc1.
What is the InChIKey of 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is SUWMSYDJOFAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-12-1-2-15-5-9-18(10-6-15)21-13-11-19(17-7-8-17)14-16-3-4-16/h5-6,9-10,16-17,20H,3-4,7-8,11-14H2.
What are the key properties of 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol?
3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[cyclopropyl(cyclopropylmethyl)amino]ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 64520625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).