2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride

C16H24ClNO3 — CID 2990447

IUPAC2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESC#CCOc1ccc(CNC(C)(C)CO)cc1OCC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-5-9-20-14-8-7-13(10-15(14)19-6-2)11-17-16(3,4)12-18;/h1,7-8,10,17-18H,6,9,11-12H2,2-4H3;1H
InChIKeyOPURMDVJWMULMZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.38
Rot. Bonds8

About 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride

2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 2990447) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID2990447
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESC#CCOc1ccc(CNC(C)(C)CO)cc1OCC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-5-9-20-14-8-7-13(10-15(14)19-6-2)11-17-16(3,4)12-18;/h1,7-8,10,17-18H,6,9,11-12H2,2-4H3;1H
InChIKeyOPURMDVJWMULMZ-UHFFFAOYSA-N
XLogP2.38
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride 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

2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;dihydrochloride
CID 17055802
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
3,4-dichloro-N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]aniline
CID 126201652
2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 28725565
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
N-[(3-chloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17158461
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride (CID 2990447) is 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride is C#CCOc1ccc(CNC(C)(C)CO)cc1OCC.Cl.
What is the InChIKey of 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is OPURMDVJWMULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-5-9-20-14-8-7-13(10-15(14)19-6-2)11-17-16(3,4)12-18;/h1,7-8,10,17-18H,6,9,11-12H2,2-4H3;1H.
What are the key properties of 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2990447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).