1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine

C16H26ClNO — CID 106866613

IUPAC1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-4-9-18-15(6-5-10-19-3)12-14-8-7-13(2)11-16(14)17/h7-8,11,15,18H,4-6,9-10,12H2,1-3H3
InChIKeyJKRKVZVZUWXSCN-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.99
Rot. Bonds9

About 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine

1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine (PubChem CID 106866613) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
PubChem CID106866613
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-4-9-18-15(6-5-10-19-3)12-14-8-7-13(2)11-16(14)17/h7-8,11,15,18H,4-6,9-10,12H2,1-3H3
InChIKeyJKRKVZVZUWXSCN-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.99
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

1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine (CID 106866613) is 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine is CCCNC(CCCOC)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine?
The InChIKey is JKRKVZVZUWXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-9-18-15(6-5-10-19-3)12-14-8-7-13(2)11-16(14)17/h7-8,11,15,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 106866613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).