2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol

C16H27NO — CID 62619340

IUPAC2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCCC(CC)N(C)CC(C)C(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-15(6-2)17(4)12-13(3)16(18)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3
InChIKeyRDLPZLDNVXOQPJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds7

About 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol

2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol (PubChem CID 62619340) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
PubChem CID62619340
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCCC(CC)N(C)CC(C)C(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-15(6-2)17(4)12-13(3)16(18)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3
InChIKeyRDLPZLDNVXOQPJ-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 79490992
3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617124
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
CID 63700124
(2S)-3-phenylpentan-2-ol
CID 45048673
3-(N-ethyl-3-methylanilino)-2-methyl-1-phenylpropan-1-ol
CID 62619514
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol (CID 62619340) is 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol is CCC(CC)N(C)CC(C)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is RDLPZLDNVXOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(6-2)17(4)12-13(3)16(18)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62619340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).