1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine

C15H24ClNO — CID 105054934

IUPAC1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-4-9-17-15(6-5-10-18-3)13-7-8-14(16)12(2)11-13/h7-8,11,15,17H,4-6,9-10H2,1-3H3
InChIKeyWOCGNFYAOHSRPA-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.12
Rot. Bonds8

About 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine

1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 105054934) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
PubChem CID105054934
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-4-9-17-15(6-5-10-18-3)13-7-8-14(16)12(2)11-13/h7-8,11,15,17H,4-6,9-10H2,1-3H3
InChIKeyWOCGNFYAOHSRPA-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.12
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-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine (CID 105054934) is 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is WOCGNFYAOHSRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-9-17-15(6-5-10-18-3)13-7-8-14(16)12(2)11-13/h7-8,11,15,17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine?
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 105054934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).