2-(3-methylbut-3-enylamino)-1-phenylethanol

C13H19NO — CID 114472041

IUPAC2-(3-methylbut-3-enylamino)-1-phenylethanol
SMILESC=C(C)CCNCC(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-9-14-10-13(15)12-6-4-3-5-7-12/h3-7,13-15H,1,8-10H2,2H3
InChIKeyFDCQIGANSJILMV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds6

About 2-(3-methylbut-3-enylamino)-1-phenylethanol

2-(3-methylbut-3-enylamino)-1-phenylethanol (PubChem CID 114472041) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-methylbut-3-enylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-methylbut-3-enylamino)-1-phenylethanol
PubChem CID114472041
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-methylbut-3-enylamino)-1-phenylethanol
SMILESC=C(C)CCNCC(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-9-14-10-13(15)12-6-4-3-5-7-12/h3-7,13-15H,1,8-10H2,2H3
InChIKeyFDCQIGANSJILMV-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enylamino)-1-phenylethanol?
The IUPAC name of 2-(3-methylbut-3-enylamino)-1-phenylethanol (CID 114472041) is 2-(3-methylbut-3-enylamino)-1-phenylethanol.
What is the SMILES notation for 2-(3-methylbut-3-enylamino)-1-phenylethanol?
The canonical SMILES for 2-(3-methylbut-3-enylamino)-1-phenylethanol is C=C(C)CCNCC(O)c1ccccc1.
What is the InChIKey of 2-(3-methylbut-3-enylamino)-1-phenylethanol?
The InChIKey is FDCQIGANSJILMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)8-9-14-10-13(15)12-6-4-3-5-7-12/h3-7,13-15H,1,8-10H2,2H3.
What are the key properties of 2-(3-methylbut-3-enylamino)-1-phenylethanol?
2-(3-methylbut-3-enylamino)-1-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enylamino)-1-phenylethanol is sourced from PubChem (CID 114472041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).