3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol

C14H23NO — CID 79253731

IUPAC3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-10(2)14(9-16)15-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3
InChIKeyLFGYREYVZBLUIW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.66
Rot. Bonds5

About 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol

3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol (PubChem CID 79253731) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
PubChem CID79253731
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-10(2)14(9-16)15-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3
InChIKeyLFGYREYVZBLUIW-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
CID 103389165
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol (CID 79253731) is 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol is Cc1ccc(C(C)NC(CO)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol?
The InChIKey is LFGYREYVZBLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)14(9-16)15-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3.
What are the key properties of 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol?
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 79253731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).