2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol

C17H21NO2 — CID 10635838

IUPAC2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
SMILESC=CCC(NCCO)c1cc2ccccc2cc1OC
InChIInChI=1S/C17H21NO2/c1-3-6-16(18-9-10-19)15-11-13-7-4-5-8-14(13)12-17(15)20-2/h3-5,7-8,11-12,16,18-19H,1,6,9-10H2,2H3
InChIKeyNZOREZHAXWNDKR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.05
Rot. Bonds7

About 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol

2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol (PubChem CID 10635838) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol.

Molecular Properties

Compound Name2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
PubChem CID10635838
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
SMILESC=CCC(NCCO)c1cc2ccccc2cc1OC
InChIInChI=1S/C17H21NO2/c1-3-6-16(18-9-10-19)15-11-13-7-4-5-8-14(13)12-17(15)20-2/h3-5,7-8,11-12,16,18-19H,1,6,9-10H2,2H3
InChIKeyNZOREZHAXWNDKR-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
CID 115755860
2-(5-bromo-2-methoxyphenyl)-2-(2-hydroxyethylamino)ethanol
CID 66490760
1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
CID 105289545
2-[2-[1-(4-ethoxy-3-methoxyphenyl)but-3-enylamino]ethoxy]ethanol
CID 4712392
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
N-[(1R)-1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 7061567
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
(1R)-N-benzyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-amine
CID 101268335
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol?
The IUPAC name of 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol (CID 10635838) is 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol.
What is the SMILES notation for 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol?
The canonical SMILES for 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol is C=CCC(NCCO)c1cc2ccccc2cc1OC.
What is the InChIKey of 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol?
The InChIKey is NZOREZHAXWNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-6-16(18-9-10-19)15-11-13-7-4-5-8-14(13)12-17(15)20-2/h3-5,7-8,11-12,16,18-19H,1,6,9-10H2,2H3.
What are the key properties of 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol?
2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol is sourced from PubChem (CID 10635838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).