2-methyl-1-(1-phenylbutylamino)butan-2-ol

C15H25NO — CID 65107747

IUPAC2-methyl-1-(1-phenylbutylamino)butan-2-ol
SMILESCCCC(NCC(C)(O)CC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-14(13-10-7-6-8-11-13)16-12-15(3,17)5-2/h6-8,10-11,14,16-17H,4-5,9,12H2,1-3H3
InChIKeyWXWOKVBFGVKHKH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds7

About 2-methyl-1-(1-phenylbutylamino)butan-2-ol

2-methyl-1-(1-phenylbutylamino)butan-2-ol (PubChem CID 65107747) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylbutylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-phenylbutylamino)butan-2-ol
PubChem CID65107747
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-1-(1-phenylbutylamino)butan-2-ol
SMILESCCCC(NCC(C)(O)CC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-14(13-10-7-6-8-11-13)16-12-15(3,17)5-2/h6-8,10-11,14,16-17H,4-5,9,12H2,1-3H3
InChIKeyWXWOKVBFGVKHKH-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1-phenylbutylamino)butan-2-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

2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylbutylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(1-phenylbutylamino)butan-2-ol (CID 65107747) is 2-methyl-1-(1-phenylbutylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-phenylbutylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(1-phenylbutylamino)butan-2-ol is CCCC(NCC(C)(O)CC)c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylbutylamino)butan-2-ol?
The InChIKey is WXWOKVBFGVKHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-9-14(13-10-7-6-8-11-13)16-12-15(3,17)5-2/h6-8,10-11,14,16-17H,4-5,9,12H2,1-3H3.
What are the key properties of 2-methyl-1-(1-phenylbutylamino)butan-2-ol?
2-methyl-1-(1-phenylbutylamino)butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylbutylamino)butan-2-ol is sourced from PubChem (CID 65107747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).