4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol

C17H25NO2 — CID 82960795

IUPAC4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOCCN(Cc1ccccc1C#CCCO)C(C)C
InChIInChI=1S/C17H25NO2/c1-15(2)18(11-13-20-3)14-17-10-5-4-8-16(17)9-6-7-12-19/h4-5,8,10,15,19H,7,11-14H2,1-3H3
InChIKeyHLTJANMXBICIKN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.28
Rot. Bonds7

About 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol

4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol (PubChem CID 82960795) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
PubChem CID82960795
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
SMILESCOCCN(Cc1ccccc1C#CCCO)C(C)C
InChIInChI=1S/C17H25NO2/c1-15(2)18(11-13-20-3)14-17-10-5-4-8-16(17)9-6-7-12-19/h4-5,8,10,15,19H,7,11-14H2,1-3H3
InChIKeyHLTJANMXBICIKN-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802
4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 63691389
N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61447355
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 65322187
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol (CID 82960795) is 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol is COCCN(Cc1ccccc1C#CCCO)C(C)C.
What is the InChIKey of 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is HLTJANMXBICIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(2)18(11-13-20-3)14-17-10-5-4-8-16(17)9-6-7-12-19/h4-5,8,10,15,19H,7,11-14H2,1-3H3.
What are the key properties of 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol?
4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 275.39 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 4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 82960795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).