3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol

C18H32N2O — CID 64826976

IUPAC3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-15(2)19-18(14-21,16-10-8-7-9-11-16)13-20(6)12-17(3,4)5/h7-11,15,19,21H,12-14H2,1-6H3
InChIKeyYWHNNZKAFCCFSL-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.85
Rot. Bonds7

About 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol

3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64826976) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64826976
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-15(2)19-18(14-21,16-10-8-7-9-11-16)13-20(6)12-17(3,4)5/h7-11,15,19,21H,12-14H2,1-6H3
InChIKeyYWHNNZKAFCCFSL-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64826976) is 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN(C)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is YWHNNZKAFCCFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)19-18(14-21,16-10-8-7-9-11-16)13-20(6)12-17(3,4)5/h7-11,15,19,21H,12-14H2,1-6H3.
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).