2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol

C15H25NO2 — CID 115137771

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CCN(C)C(CO)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)15(11-17)16(3)10-9-13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyRPYQACYDOGPMTB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol

2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137771) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137771
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CCN(C)C(CO)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)15(11-17)16(3)10-9-13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyRPYQACYDOGPMTB-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
CID 115137765
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
N-(2-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 65445752
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol (CID 115137771) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol is COc1ccc(CCN(C)C(CO)C(C)C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is RPYQACYDOGPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)15(11-17)16(3)10-9-13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol?
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).