2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

C16H25NO — CID 113288185

IUPAC2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(C)(O)CC(C)C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)10-16(4,18)12-17-11-14(3)15-8-6-5-7-9-15/h5-9,13,17-18H,3,10-12H2,1-2,4H3
InChIKeyRVKUKDWJWVRZRA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds7

About 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (PubChem CID 113288185) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
PubChem CID113288185
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(C)(O)CC(C)C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)10-16(4,18)12-17-11-14(3)15-8-6-5-7-9-15/h5-9,13,17-18H,3,10-12H2,1-2,4H3
InChIKeyRVKUKDWJWVRZRA-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-(2-phenylprop-2-enylamino)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

2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106292785
1-(dimethylamino)-2-methyl-3-(2-phenylprop-2-enylamino)propan-2-ol
CID 106147571
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol
CID 77113961
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine
CID 90317419
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (CID 113288185) is 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is C=C(CNCC(C)(O)CC(C)C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The InChIKey is RVKUKDWJWVRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)10-16(4,18)12-17-11-14(3)15-8-6-5-7-9-15/h5-9,13,17-18H,3,10-12H2,1-2,4H3.
What are the key properties of 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is sourced from PubChem (CID 113288185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).