1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol

C15H23NO2 — CID 114066816

IUPAC1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CCOC)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(17)12-4-6-13(7-5-12)16(10-11-18-2)14-8-9-14/h4-7,14-15,17H,3,8-11H2,1-2H3
InChIKeyQRXOZJZTGPHVLX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.75
Rot. Bonds7

About 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol

1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol (PubChem CID 114066816) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
PubChem CID114066816
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CCOC)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(17)12-4-6-13(7-5-12)16(10-11-18-2)14-8-9-14/h4-7,14-15,17H,3,8-11H2,1-2H3
InChIKeyQRXOZJZTGPHVLX-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-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

1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(2-methoxyethyl)pyridin-3-amine
CID 115939392
6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122840
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123007
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol (CID 114066816) is 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol is CCC(O)c1ccc(N(CCOC)C2CC2)cc1.
What is the InChIKey of 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The InChIKey is QRXOZJZTGPHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(17)12-4-6-13(7-5-12)16(10-11-18-2)14-8-9-14/h4-7,14-15,17H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol?
1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).