3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol

C16H26N2O — CID 64787052

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN(C)CC1CCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-17-16(13-19,15-9-4-3-5-10-15)12-18(2)11-14-7-6-8-14/h3-5,9-10,14,17,19H,6-8,11-13H2,1-2H3
InChIKeyPFKWJOGRRWAGPJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.83
Rot. Bonds7

About 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol

3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64787052) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64787052
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN(C)CC1CCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-17-16(13-19,15-9-4-3-5-10-15)12-18(2)11-14-7-6-8-14/h3-5,9-10,14,17,19H,6-8,11-13H2,1-2H3
InChIKeyPFKWJOGRRWAGPJ-UHFFFAOYSA-N
XLogP1.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 63632518
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
3-(N,4-dimethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64792121
3-(N,2-dimethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64791750
3-(N-ethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64797612
2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol
CID 64790598
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol (CID 64787052) is 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CN(C)CC1CCC1)c1ccccc1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is PFKWJOGRRWAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-16(13-19,15-9-4-3-5-10-15)12-18(2)11-14-7-6-8-14/h3-5,9-10,14,17,19H,6-8,11-13H2,1-2H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol?
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64787052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).