1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol

C16H27NO2 — CID 115719297

IUPAC1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-15(18)12-17-13(2)6-7-14-8-10-16(19-3)11-9-14/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyAIHLIUJKDRAMNH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.77
Rot. Bonds9

About 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol

1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol (PubChem CID 115719297) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
PubChem CID115719297
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-15(18)12-17-13(2)6-7-14-8-10-16(19-3)11-9-14/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyAIHLIUJKDRAMNH-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-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

4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
CID 71751093
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
CID 103901936
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol?
The IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol (CID 115719297) is 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol?
The canonical SMILES for 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol is CCCC(O)CNC(C)CCc1ccc(OC)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol?
The InChIKey is AIHLIUJKDRAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-15(18)12-17-13(2)6-7-14-8-10-16(19-3)11-9-14/h8-11,13,15,17-18H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol?
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol is sourced from PubChem (CID 115719297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).