2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol

C16H28N2O2 — CID 103465829

IUPAC2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
SMILESCCN(CC)CCNC(CO)(COC)c1ccccc1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)12-11-17-16(13-19,14-20-3)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3
InChIKeyIWCGYEGWDZDUAL-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.45
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol

2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol (PubChem CID 103465829) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
PubChem CID103465829
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
SMILESCCN(CC)CCNC(CO)(COC)c1ccccc1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)12-11-17-16(13-19,14-20-3)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3
InChIKeyIWCGYEGWDZDUAL-UHFFFAOYSA-N
XLogP1.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol (CID 103465829) is 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol is CCN(CC)CCNC(CO)(COC)c1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol?
The InChIKey is IWCGYEGWDZDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18(5-2)12-11-17-16(13-19,14-20-3)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol?
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol is sourced from PubChem (CID 103465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).