1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol

C16H28N2O — CID 62618624

IUPAC1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
SMILESCCNC(c1ccccc1)C(C)CN(C)CC(C)O
InChIInChI=1S/C16H28N2O/c1-5-17-16(15-9-7-6-8-10-15)13(2)11-18(4)12-14(3)19/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3
InChIKeyOWEQHOXDGZRFSD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.29
Rot. Bonds8

About 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol

1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol (PubChem CID 62618624) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
PubChem CID62618624
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
SMILESCCNC(c1ccccc1)C(C)CN(C)CC(C)O
InChIInChI=1S/C16H28N2O/c1-5-17-16(15-9-7-6-8-10-15)13(2)11-18(4)12-14(3)19/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3
InChIKeyOWEQHOXDGZRFSD-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-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

N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol (CID 62618624) is 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol is CCNC(c1ccccc1)C(C)CN(C)CC(C)O.
What is the InChIKey of 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol?
The InChIKey is OWEQHOXDGZRFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-16(15-9-7-6-8-10-15)13(2)11-18(4)12-14(3)19/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol?
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62618624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).