1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol

C18H32N2O — CID 79377198

IUPAC1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
SMILESCCNCC(C)(CN(CC)CC(C)(C)O)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-6-19-13-18(5,16-11-9-8-10-12-16)15-20(7-2)14-17(3,4)21/h8-12,19,21H,6-7,13-15H2,1-5H3
InChIKeyYMTKBCLGWFQAJD-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.65
Rot. Bonds9

About 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol

1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol (PubChem CID 79377198) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
PubChem CID79377198
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
SMILESCCNCC(C)(CN(CC)CC(C)(C)O)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-6-19-13-18(5,16-11-9-8-10-12-16)15-20(7-2)14-17(3,4)21/h8-12,19,21H,6-7,13-15H2,1-5H3
InChIKeyYMTKBCLGWFQAJD-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
N,N'-diethyl-2-methyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62261442
N-cyclopropyl-N,N'-diethyl-2-methyl-2-phenylpropane-1,3-diamine
CID 62261792
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256339
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274
2-[cyclobutyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]ethanol
CID 102871059
2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol
CID 62258100
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol (CID 79377198) is 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol is CCNCC(C)(CN(CC)CC(C)(C)O)c1ccccc1.
What is the InChIKey of 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol?
The InChIKey is YMTKBCLGWFQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-19-13-18(5,16-11-9-8-10-12-16)15-20(7-2)14-17(3,4)21/h8-12,19,21H,6-7,13-15H2,1-5H3.
What are the key properties of 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol has a molecular weight of 292.47 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).