4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol

C15H25NO — CID 81343196

IUPAC4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCc1cc(C)cc(C(C)NCC(C)CCO)c1
InChIInChI=1S/C15H25NO/c1-11(5-6-17)10-16-14(4)15-8-12(2)7-13(3)9-15/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyNNOCBVLVJHHXPS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds6

About 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol

4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 81343196) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID81343196
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCc1cc(C)cc(C(C)NCC(C)CCO)c1
InChIInChI=1S/C15H25NO/c1-11(5-6-17)10-16-14(4)15-8-12(2)7-13(3)9-15/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyNNOCBVLVJHHXPS-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-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
CID 66089700
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
2-[1-[(4-hydroxy-2-methylbutyl)amino]ethyl]benzene-1,4-diol
CID 66090624
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
2-bromo-N-[1-(3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717133
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 106180105

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (CID 81343196) is 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is Cc1cc(C)cc(C(C)NCC(C)CCO)c1.
What is the InChIKey of 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is NNOCBVLVJHHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(5-6-17)10-16-14(4)15-8-12(2)7-13(3)9-15/h7-9,11,14,16-17H,5-6,10H2,1-4H3.
What are the key properties of 4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
4-[1-(3,5-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-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 81343196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).