2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine

C17H28ClNO — CID 83169176

IUPAC2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
SMILESCOCCNCC(CCCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-14(2)5-4-6-16(13-19-11-12-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyUXHQEXJFSAYPME-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.49
Rot. Bonds10

About 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine

2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine (PubChem CID 83169176) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
PubChem CID83169176
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
SMILESCOCCNCC(CCCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-14(2)5-4-6-16(13-19-11-12-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyUXHQEXJFSAYPME-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-thiophen-3-ylbutan-1-amine
CID 79433559
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
CID 143607230
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine (CID 83169176) is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine is COCCNCC(CCCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine?
The InChIKey is UXHQEXJFSAYPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-14(2)5-4-6-16(13-19-11-12-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine?
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine is sourced from PubChem (CID 83169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).