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

C16H27NO — CID 79254457

IUPAC3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
SMILESCC(C)c1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-11(2)14-6-8-15(9-7-14)13(5)17-16(10-18)12(3)4/h6-9,11-13,16-18H,10H2,1-5H3
InChIKeyIAUGILMTMWBHDV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds6

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

3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol (PubChem CID 79254457) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
PubChem CID79254457
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
SMILESCC(C)c1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-11(2)14-6-8-15(9-7-14)13(5)17-16(10-18)12(3)4/h6-9,11-13,16-18H,10H2,1-5H3
InChIKeyIAUGILMTMWBHDV-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
CID 104827855
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
4-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzonitrile
CID 103921571
4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
CID 54953461
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol (CID 79254457) is 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol is CC(C)c1ccc(C(C)NC(CO)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol?
The InChIKey is IAUGILMTMWBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)14-6-8-15(9-7-14)13(5)17-16(10-18)12(3)4/h6-9,11-13,16-18H,10H2,1-5H3.
What are the key properties of 3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol?
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.48, 6 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-propan-2-ylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 79254457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).