2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol

C17H21NO2 — CID 63294313

IUPAC2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
SMILESCC(NCC(O)C1CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-11(18-10-16(19)13-6-7-13)14-9-8-12-4-2-3-5-15(12)17(14)20/h2-5,8-9,11,13,16,18-20H,6-7,10H2,1H3
InChIKeyULSWIWSPRQZACX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol

2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol (PubChem CID 63294313) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
PubChem CID63294313
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
SMILESCC(NCC(O)C1CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-11(18-10-16(19)13-6-7-13)14-9-8-12-4-2-3-5-15(12)17(14)20/h2-5,8-9,11,13,16,18-20H,6-7,10H2,1H3
InChIKeyULSWIWSPRQZACX-UHFFFAOYSA-N
XLogP2.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol (CID 63294313) is 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol is CC(NCC(O)C1CC1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol?
The InChIKey is ULSWIWSPRQZACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(18-10-16(19)13-6-7-13)14-9-8-12-4-2-3-5-15(12)17(14)20/h2-5,8-9,11,13,16,18-20H,6-7,10H2,1H3.
What are the key properties of 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol?
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 63294313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).