2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol

C13H20N2O — CID 140503956

IUPAC2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
SMILESC=CC(N(C)C)C(N)(O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-12(15(2)3)13(14,16)10-11-8-6-5-7-9-11/h4-9,12,16H,1,10,14H2,2-3H3
InChIKeyCLEZKQIYZHGAPC-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol

2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol (PubChem CID 140503956) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
PubChem CID140503956
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
SMILESC=CC(N(C)C)C(N)(O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-12(15(2)3)13(14,16)10-11-8-6-5-7-9-11/h4-9,12,16H,1,10,14H2,2-3H3
InChIKeyCLEZKQIYZHGAPC-UHFFFAOYSA-N
XLogP0.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-phenylbutane-2,3-diol
CID 175388454
4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
CID 173170134
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
4-benzylhepta-1,6-dien-4-amine
CID 15310873
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
2-amino-2-benzylbut-3-enoic acid
CID 10976314
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-N',2-N'-dimethyl-3-phenylpropane-1,2,2-triamine
CID 135203392

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol?
The IUPAC name of 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol (CID 140503956) is 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol.
What is the SMILES notation for 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol?
The canonical SMILES for 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol is C=CC(N(C)C)C(N)(O)Cc1ccccc1.
What is the InChIKey of 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol?
The InChIKey is CLEZKQIYZHGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(15(2)3)13(14,16)10-11-8-6-5-7-9-11/h4-9,12,16H,1,10,14H2,2-3H3.
What are the key properties of 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol?
2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol has a molecular weight of 220.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol is sourced from PubChem (CID 140503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).