1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol

C17H29NO2 — CID 81062270

IUPAC1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
SMILESCCc1ccc(C(O)C(C)N(C)CCOC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-15-7-9-16(10-8-15)17(19)14(4)18(5)11-12-20-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyLHVZHFYKJPSSEQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.03
Rot. Bonds8

About 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol

1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol (PubChem CID 81062270) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
PubChem CID81062270
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
SMILESCCc1ccc(C(O)C(C)N(C)CCOC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-15-7-9-16(10-8-15)17(19)14(4)18(5)11-12-20-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyLHVZHFYKJPSSEQ-UHFFFAOYSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-ol
CID 63864319
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
CID 63701171
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol (CID 81062270) is 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol is CCc1ccc(C(O)C(C)N(C)CCOC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The InChIKey is LHVZHFYKJPSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-15-7-9-16(10-8-15)17(19)14(4)18(5)11-12-20-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol is sourced from PubChem (CID 81062270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).