N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine

C16H18ClNO2 — CID 114855689

IUPACN-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-19-10-9-18-12-13-11-14(17)7-8-16(13)20-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyZNASHTLBQRHZBL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.87
Rot. Bonds7

About N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine

N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 114855689) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID114855689
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-19-10-9-18-12-13-11-14(17)7-8-16(13)20-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyZNASHTLBQRHZBL-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.87
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

N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114856111
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
CID 114856955
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63552735
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[[5-chloro-2-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855609
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine (CID 114855689) is N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is ZNASHTLBQRHZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-10-9-18-12-13-11-14(17)7-8-16(13)20-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine?
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 114855689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).