[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine

C19H18ClNO2 — CID 22687111

IUPAC[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H18ClNO2/c20-17-6-8-19(16(11-17)13-21)23-10-9-22-18-7-5-14-3-1-2-4-15(14)12-18/h1-8,11-12H,9-10,13,21H2
InChIKeyQBQSRQXGCJUBLX-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.41
Rot. Bonds6

About [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine

[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine (PubChem CID 22687111) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
PubChem CID22687111
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H18ClNO2/c20-17-6-8-19(16(11-17)13-21)23-10-9-22-18-7-5-14-3-1-2-4-15(14)12-18/h1-8,11-12H,9-10,13,21H2
InChIKeyQBQSRQXGCJUBLX-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
[5-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112586997
[5-chloro-2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22684932
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
[5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20994270
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol
CID 62374138
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine (CID 22687111) is [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine is NCc1cc(Cl)ccc1OCCOc1ccc2ccccc2c1.
What is the InChIKey of [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine?
The InChIKey is QBQSRQXGCJUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-17-6-8-19(16(11-17)13-21)23-10-9-22-18-7-5-14-3-1-2-4-15(14)12-18/h1-8,11-12H,9-10,13,21H2.
What are the key properties of [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine?
[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine has a molecular weight of 327.81 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine is sourced from PubChem (CID 22687111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).