2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol

C17H30N2O — CID 116695166

IUPAC2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
SMILESCCCC(C)N(C)CCC(CO)(NC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-9-15(2)19(4)13-12-17(14-20,18-3)16-10-7-6-8-11-16/h6-8,10-11,15,18,20H,5,9,12-14H2,1-4H3
InChIKeyIGWHLFZXPBRJLD-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.60
Rot. Bonds9

About 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol

2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol (PubChem CID 116695166) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
PubChem CID116695166
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
SMILESCCCC(C)N(C)CCC(CO)(NC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-9-15(2)19(4)13-12-17(14-20,18-3)16-10-7-6-8-11-16/h6-8,10-11,15,18,20H,5,9,12-14H2,1-4H3
InChIKeyIGWHLFZXPBRJLD-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695023
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutan-1-ol
CID 107764880
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol (CID 116695166) is 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol is CCCC(C)N(C)CCC(CO)(NC)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol?
The InChIKey is IGWHLFZXPBRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-9-15(2)19(4)13-12-17(14-20,18-3)16-10-7-6-8-11-16/h6-8,10-11,15,18,20H,5,9,12-14H2,1-4H3.
What are the key properties of 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol?
2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).