1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine

C17H28ClNO2 — CID 114874372

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H28ClNO2/c1-6-8-19-15(9-12(3)7-2)13-10-16(20-4)17(21-5)11-14(13)18/h10-12,15,19H,6-9H2,1-5H3
InChIKeyFALWRWUIZUVTFH-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.83
Rot. Bonds9

About 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine

1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874372) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874372
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H28ClNO2/c1-6-8-19-15(9-12(3)7-2)13-10-16(20-4)17(21-5)11-14(13)18/h10-12,15,19H,6-9H2,1-5H3
InChIKeyFALWRWUIZUVTFH-UHFFFAOYSA-N
XLogP4.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 105056859
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030359
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine (CID 114874372) is 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is FALWRWUIZUVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-6-8-19-15(9-12(3)7-2)13-10-16(20-4)17(21-5)11-14(13)18/h10-12,15,19H,6-9H2,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 313.87 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).