1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

C16H26ClNO — CID 43562163

IUPAC1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Cl)C(C)CCC
InChIInChI=1S/C16H26ClNO/c1-5-7-12(3)16(18-10-6-2)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3
InChIKeyRMVKJOUWNKOUSI-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.83
Rot. Bonds8

About 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 43562163) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID43562163
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Cl)C(C)CCC
InChIInChI=1S/C16H26ClNO/c1-5-7-12(3)16(18-10-6-2)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3
InChIKeyRMVKJOUWNKOUSI-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (CID 43562163) is 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1Cl)C(C)CCC.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is RMVKJOUWNKOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-12(3)16(18-10-6-2)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43562163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).