3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol

C16H27NO — CID 62613763

IUPAC3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)CN(CCC(O)c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)12-17(14(3)4)11-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3
InChIKeyMAIDHSIDYXYVQA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds7

About 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol

3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 62613763) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID62613763
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)CN(CCC(O)c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)12-17(14(3)4)11-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3
InChIKeyMAIDHSIDYXYVQA-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

3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
5-methyl-1-phenylhexan-1-ol
CID 10997859
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
2-[amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 63194009
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
CID 79490998
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
(4R)-1-phenylpentane-1,4-diol
CID 13204353
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol (CID 62613763) is 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol is CC(C)CN(CCC(O)c1ccccc1)C(C)C.
What is the InChIKey of 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is MAIDHSIDYXYVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)12-17(14(3)4)11-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3.
What are the key properties of 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
3-[2-methylpropyl(propan-2-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 3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62613763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).