2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 104582361

IUPAC2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
SMILESCC(NCCOCC1CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-13(19-10-11-21-12-14-6-7-14)16-9-8-15-4-2-3-5-17(15)18(16)20/h2-5,8-9,13-14,19-20H,6-7,10-12H2,1H3
InChIKeyOACFTQNBFVYEPV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds7

About 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol

2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol (PubChem CID 104582361) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
PubChem CID104582361
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
SMILESCC(NCCOCC1CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-13(19-10-11-21-12-14-6-7-14)16-9-8-15-4-2-3-5-17(15)18(16)20/h2-5,8-9,13-14,19-20H,6-7,10-12H2,1H3
InChIKeyOACFTQNBFVYEPV-UHFFFAOYSA-N
XLogP3.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol (CID 104582361) is 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol is CC(NCCOCC1CC1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol?
The InChIKey is OACFTQNBFVYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19-10-11-21-12-14-6-7-14)16-9-8-15-4-2-3-5-17(15)18(16)20/h2-5,8-9,13-14,19-20H,6-7,10-12H2,1H3.
What are the key properties of 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol?
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104582361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).