3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol

C15H25NO — CID 103787637

IUPAC3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NCC(C)(C)CCO)cc1
InChIInChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(3,4)9-10-17/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyIFSREKLCXAWZMU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds6

About 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol

3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol (PubChem CID 103787637) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
PubChem CID103787637
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NCC(C)(C)CCO)cc1
InChIInChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(3,4)9-10-17/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyIFSREKLCXAWZMU-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
CID 79624776
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
2-[1-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol (CID 103787637) is 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol is Cc1ccc(C(C)NCC(C)(C)CCO)cc1.
What is the InChIKey of 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The InChIKey is IFSREKLCXAWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(3,4)9-10-17/h5-8,13,16-17H,9-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol?
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103787637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).