1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol

C16H28N2O — CID 62623092

IUPAC1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
SMILESCCNC(CCN(C)CC(C)O)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-5-17-16(10-11-18(4)12-14(3)19)15-9-7-6-8-13(15)2/h6-9,14,16-17,19H,5,10-12H2,1-4H3
InChIKeyKVKYWFCIYYDVEZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.35
Rot. Bonds8

About 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol

1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol (PubChem CID 62623092) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
PubChem CID62623092
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
SMILESCCNC(CCN(C)CC(C)O)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-5-17-16(10-11-18(4)12-14(3)19)15-9-7-6-8-13(15)2/h6-9,14,16-17,19H,5,10-12H2,1-4H3
InChIKeyKVKYWFCIYYDVEZ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
CID 62645074
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol (CID 62623092) is 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol is CCNC(CCN(C)CC(C)O)c1ccccc1C.
What is the InChIKey of 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol?
The InChIKey is KVKYWFCIYYDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-16(10-11-18(4)12-14(3)19)15-9-7-6-8-13(15)2/h6-9,14,16-17,19H,5,10-12H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol?
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).