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

C17H30N2O — CID 64798274

IUPAC3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(C)N(C)CC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-6-15(4)19(5)12-17(13-20,18-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,18,20H,6,12-13H2,1-5H3
InChIKeyQIFWZZOWVRAQBZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.60
Rot. Bonds8

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

3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64798274) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64798274
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(C)N(C)CC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-6-15(4)19(5)12-17(13-20,18-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,18,20H,6,12-13H2,1-5H3
InChIKeyQIFWZZOWVRAQBZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
CID 116695166
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62263083
3-(N-ethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64797612

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64798274) is 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is CCC(C)N(C)CC(CO)(NC(C)C)c1ccccc1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is QIFWZZOWVRAQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-15(4)19(5)12-17(13-20,18-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,18,20H,6,12-13H2,1-5H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64798274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).