2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine

C18H25NO2 — CID 115943256

IUPAC2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
SMILESCC(C)(C)OCCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-13-12-20-17-9-8-14-6-4-5-7-15(14)16(17)10-11-19/h4-9H,10-13,19H2,1-3H3
InChIKeyQXZBBGFCVYWKKB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.53
Rot. Bonds6

About 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine

2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine (PubChem CID 115943256) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
PubChem CID115943256
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
SMILESCC(C)(C)OCCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-13-12-20-17-9-8-14-6-4-5-7-15(14)16(17)10-11-19/h4-9H,10-13,19H2,1-3H3
InChIKeyQXZBBGFCVYWKKB-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
2-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
CID 61481605
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine
CID 20985453
1-ethyl-2-propoxynaphthalene
CID 129259410

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine (CID 115943256) is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine is CC(C)(C)OCCOc1ccc2ccccc2c1CCN.
What is the InChIKey of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine?
The InChIKey is QXZBBGFCVYWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)21-13-12-20-17-9-8-14-6-4-5-7-15(14)16(17)10-11-19/h4-9H,10-13,19H2,1-3H3.
What are the key properties of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine?
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine is sourced from PubChem (CID 115943256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).