2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine

C17H28ClNO2 — CID 103036937

IUPAC2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
SMILESCOCCNCC(CCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-17(2,21-4)10-9-14(13-19-11-12-20-3)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3
InChIKeyROWUUTDBHZNYKX-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.86
Rot. Bonds10

About 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine

2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine (PubChem CID 103036937) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
PubChem CID103036937
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
SMILESCOCCNCC(CCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-17(2,21-4)10-9-14(13-19-11-12-20-3)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3
InChIKeyROWUUTDBHZNYKX-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.86
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-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine (CID 103036937) is 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine is COCCNCC(CCC(C)(C)OC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine?
The InChIKey is ROWUUTDBHZNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-17(2,21-4)10-9-14(13-19-11-12-20-3)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine?
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine has a molecular weight of 313.87 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine is sourced from PubChem (CID 103036937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).