2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol

C17H29NO2 — CID 66179115

IUPAC2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)10-17(5,19)12-18-11-15-7-6-8-16(9-15)20-14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyXIUGJFJORVATJH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.36
Rot. Bonds8

About 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol

2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol (PubChem CID 66179115) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
PubChem CID66179115
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)10-17(5,19)12-18-11-15-7-6-8-16(9-15)20-14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyXIUGJFJORVATJH-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 111468245
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168780
2-methyl-1-methylsulfanyl-3-[(4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682969
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
2-methyl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 107104503
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol (CID 66179115) is 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol is CC(C)CC(C)(O)CNCc1cccc(OC(C)C)c1.
What is the InChIKey of 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol?
The InChIKey is XIUGJFJORVATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)10-17(5,19)12-18-11-15-7-6-8-16(9-15)20-14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol?
2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 66179115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).