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

C16H28N2O — CID 116695023

IUPAC4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
SMILESCCCCN(C)CCC(CO)(NC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-5-12-18(3)13-11-16(14-19,17-2)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3
InChIKeyHUOPJFDDAGEJIR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.22
Rot. Bonds9

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

4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695023) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695023
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
SMILESCCCCN(C)CCC(CO)(NC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-5-12-18(3)13-11-16(14-19,17-2)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3
InChIKeyHUOPJFDDAGEJIR-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
CID 116695166
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
3-butylsulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64819019
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
3-(N-ethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64797612
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol
CID 125451380
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol (CID 116695023) is 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol is CCCCN(C)CCC(CO)(NC)c1ccccc1.
What is the InChIKey of 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is HUOPJFDDAGEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-12-18(3)13-11-16(14-19,17-2)15-9-7-6-8-10-15/h6-10,17,19H,4-5,11-14H2,1-3H3.
What are the key properties of 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol?
4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).