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

C17H30N2O — CID 64798698

IUPAC3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CN(C)CC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-14(2)11-19(5)12-17(13-20,18-15(3)4)16-9-7-6-8-10-16/h6-10,14-15,18,20H,11-13H2,1-5H3
InChIKeyBTKRUHIBVHOQMU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.46
Rot. Bonds8

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

3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64798698) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64798698
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CN(C)CC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-14(2)11-19(5)12-17(13-20,18-15(3)4)16-9-7-6-8-10-16/h6-10,14-15,18,20H,11-13H2,1-5H3
InChIKeyBTKRUHIBVHOQMU-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64826976
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
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
2-(ethylamino)-3-[2-methylpropyl(propan-2-yl)amino]-2-phenylpropan-1-ol
CID 64827794
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64798698) is 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is CC(C)CN(C)CC(CO)(NC(C)C)c1ccccc1.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is BTKRUHIBVHOQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)11-19(5)12-17(13-20,18-15(3)4)16-9-7-6-8-10-16/h6-10,14-15,18,20H,11-13H2,1-5H3.
What are the key properties of 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64798698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).