2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol

C17H30N2O2 — CID 116694993

IUPAC2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-4-18-17(15-20,16-9-6-5-7-10-16)11-13-19(2)12-8-14-21-3/h5-7,9-10,18,20H,4,8,11-15H2,1-3H3
InChIKeyPADZASWIWALDTL-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.84
Rot. Bonds11

About 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol

2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol (PubChem CID 116694993) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
PubChem CID116694993
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-4-18-17(15-20,16-9-6-5-7-10-16)11-13-19(2)12-8-14-21-3/h5-7,9-10,18,20H,4,8,11-15H2,1-3H3
InChIKeyPADZASWIWALDTL-UHFFFAOYSA-N
XLogP1.84
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695023
2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
CID 64821042
2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
CID 116693828
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol (CID 116694993) is 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol is CCNC(CO)(CCN(C)CCCOC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol?
The InChIKey is PADZASWIWALDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-18-17(15-20,16-9-6-5-7-10-16)11-13-19(2)12-8-14-21-3/h5-7,9-10,18,20H,4,8,11-15H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol?
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116694993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).