2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine

C16H26ClNO — CID 104649470

IUPAC2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-3-11-18-13-15(6-4-5-12-19-2)14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3
InChIKeyPRBXJRBOTVGLHY-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.24
Rot. Bonds10

About 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine

2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine (PubChem CID 104649470) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
PubChem CID104649470
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-3-11-18-13-15(6-4-5-12-19-2)14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3
InChIKeyPRBXJRBOTVGLHY-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.24
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)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine (CID 104649470) is 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine is CCCNCC(CCCCOC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine?
The InChIKey is PRBXJRBOTVGLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-3-11-18-13-15(6-4-5-12-19-2)14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine?
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine is sourced from PubChem (CID 104649470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).