1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

C18H29NO3 — CID 75445674

IUPAC1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCCOc1cc(CNCC2(C(O)C(C)C)CC2)ccc1OC
InChIInChI=1S/C18H29NO3/c1-5-22-16-10-14(6-7-15(16)21-4)11-19-12-18(8-9-18)17(20)13(2)3/h6-7,10,13,17,19-20H,5,8-9,11-12H2,1-4H3
InChIKeyMDXJZWZLCKPBIR-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.98
Rot. Bonds9

About 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (PubChem CID 75445674) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
PubChem CID75445674
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCCOc1cc(CNCC2(C(O)C(C)C)CC2)ccc1OC
InChIInChI=1S/C18H29NO3/c1-5-22-16-10-14(6-7-15(16)21-4)11-19-12-18(8-9-18)17(20)13(2)3/h6-7,10,13,17,19-20H,5,8-9,11-12H2,1-4H3
InChIKeyMDXJZWZLCKPBIR-UHFFFAOYSA-N
XLogP2.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-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

(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
1-(3-ethoxy-4-methoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267051
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (CID 75445674) is 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is CCOc1cc(CNCC2(C(O)C(C)C)CC2)ccc1OC.
What is the InChIKey of 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The InChIKey is MDXJZWZLCKPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-22-16-10-14(6-7-15(16)21-4)11-19-12-18(8-9-18)17(20)13(2)3/h6-7,10,13,17,19-20H,5,8-9,11-12H2,1-4H3.
What are the key properties of 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is sourced from PubChem (CID 75445674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).