2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine

C17H28ClNO2 — CID 103183680

IUPAC2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
SMILESCOCCCOCCC(CNC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-14(2)19-13-16(9-12-21-11-4-10-20-3)15-5-7-17(18)8-6-15/h5-8,14,16,19H,4,9-13H2,1-3H3
InChIKeyYNOMLBBJIRIUMB-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.86
Rot. Bonds11

About 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine

2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 103183680) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
PubChem CID103183680
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
SMILESCOCCCOCCC(CNC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-14(2)19-13-16(9-12-21-11-4-10-20-3)15-5-7-17(18)8-6-15/h5-8,14,16,19H,4,9-13H2,1-3H3
InChIKeyYNOMLBBJIRIUMB-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
2-(4-chlorophenyl)-N-propan-2-yloctan-1-amine
CID 79438008
1-[1-bromo-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-4-chlorobenzene
CID 104568762
2-(4-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361887
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
CID 103183286

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine (CID 103183680) is 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine is COCCCOCCC(CNC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is YNOMLBBJIRIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-14(2)19-13-16(9-12-21-11-4-10-20-3)15-5-7-17(18)8-6-15/h5-8,14,16,19H,4,9-13H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine?
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 313.87 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 103183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).