2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

C15H23NO — CID 106292785

IUPAC2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(C)(O)CCC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-10-15(3,17)12-16-11-13(2)14-8-6-5-7-9-14/h5-9,16-17H,2,4,10-12H2,1,3H3
InChIKeyWKJZYZUQKOUQBC-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.84
Rot. Bonds7

About 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (PubChem CID 106292785) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
PubChem CID106292785
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(C)(O)CCC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-10-15(3,17)12-16-11-13(2)14-8-6-5-7-9-14/h5-9,16-17H,2,4,10-12H2,1,3H3
InChIKeyWKJZYZUQKOUQBC-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-2-methyl-3-(2-phenylprop-2-enylamino)propan-2-ol
CID 106147571
2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 113288185
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
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-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
pent-1-en-2-ylbenzene
CID 521761
3-[2-[(2-hydroxy-2-methylpentyl)amino]ethoxy]benzoic acid
CID 106294591
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (CID 106292785) is 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is C=C(CNCC(C)(O)CCC)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The InChIKey is WKJZYZUQKOUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-10-15(3,17)12-16-11-13(2)14-8-6-5-7-9-14/h5-9,16-17H,2,4,10-12H2,1,3H3.
What are the key properties of 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is sourced from PubChem (CID 106292785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).