1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol

C17H29ClN2O — CID 79377199

IUPAC1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCNC(CCN(CC)CC(C)(C)O)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2O/c1-5-19-16(14-8-7-9-15(18)12-14)10-11-20(6-2)13-17(3,4)21/h7-9,12,16,19,21H,5-6,10-11,13H2,1-4H3
InChIKeyFNYUIYLXWPKBAJ-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.47
Rot. Bonds9

About 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol

1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79377199) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79377199
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCNC(CCN(CC)CC(C)(C)O)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2O/c1-5-19-16(14-8-7-9-15(18)12-14)10-11-20(6-2)13-17(3,4)21/h7-9,12,16,19,21H,5-6,10-11,13H2,1-4H3
InChIKeyFNYUIYLXWPKBAJ-UHFFFAOYSA-N
XLogP3.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
CID 63494994
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol (CID 79377199) is 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol is CCNC(CCN(CC)CC(C)(C)O)c1cccc(Cl)c1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is FNYUIYLXWPKBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O/c1-5-19-16(14-8-7-9-15(18)12-14)10-11-20(6-2)13-17(3,4)21/h7-9,12,16,19,21H,5-6,10-11,13H2,1-4H3.
What are the key properties of 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 312.89 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).