4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine

C16H21NO3 — CID 103177326

IUPAC4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
SMILESCOCCCOCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C16H21NO3/c1-18-9-4-10-19-11-12-20-16-8-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-8H,4,9-12,17H2,1H3
InChIKeyGCXMHVQEWGCBPW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.85
Rot. Bonds8

About 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine

4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine (PubChem CID 103177326) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
PubChem CID103177326
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
SMILESCOCCCOCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C16H21NO3/c1-18-9-4-10-19-11-12-20-16-8-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-8H,4,9-12,17H2,1H3
InChIKeyGCXMHVQEWGCBPW-UHFFFAOYSA-N
XLogP2.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
CID 63691515
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
3-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408903
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
4-(ethoxymethoxy)naphthalen-1-amine
CID 65364602
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine (CID 103177326) is 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine is COCCCOCCOc1ccc(N)c2ccccc12.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine?
The InChIKey is GCXMHVQEWGCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-18-9-4-10-19-11-12-20-16-8-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-8H,4,9-12,17H2,1H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine?
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine is sourced from PubChem (CID 103177326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).