4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol

C15H25NO — CID 66090823

IUPAC4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCc1ccc(C(C)NCC(C)CCO)cc1C
InChIInChI=1S/C15H25NO/c1-11(7-8-17)10-16-14(4)15-6-5-12(2)13(3)9-15/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3
InChIKeyHQPQLFGDYJXISA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds6

About 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol

4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66090823) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID66090823
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCc1ccc(C(C)NCC(C)CCO)cc1C
InChIInChI=1S/C15H25NO/c1-11(7-8-17)10-16-14(4)15-6-5-12(2)13(3)9-15/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3
InChIKeyHQPQLFGDYJXISA-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 81343196
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
CID 66089700
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 103904636
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
CID 110010765
N-[1-(3,4-dimethylphenyl)ethyl]-2-prop-2-enoxypropan-1-amine
CID 114264126
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (CID 66090823) is 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is Cc1ccc(C(C)NCC(C)CCO)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is HQPQLFGDYJXISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(7-8-17)10-16-14(4)15-6-5-12(2)13(3)9-15/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66090823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).