1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine

C13H20ClNO — CID 117356696

IUPAC1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1c(CC(C)(C)N)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO/c1-5-11-9(8-13(2,3)15)6-10(14)7-12(11)16-4/h6-7H,5,8,15H2,1-4H3
InChIKeyJNHYUTBRCLTBON-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.19
Rot. Bonds4

About 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine

1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117356696) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117356696
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1c(CC(C)(C)N)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO/c1-5-11-9(8-13(2,3)15)6-10(14)7-12(11)16-4/h6-7H,5,8,15H2,1-4H3
InChIKeyJNHYUTBRCLTBON-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine (CID 117356696) is 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine is CCc1c(CC(C)(C)N)cc(Cl)cc1OC.
What is the InChIKey of 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is JNHYUTBRCLTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-11-9(8-13(2,3)15)6-10(14)7-12(11)16-4/h6-7H,5,8,15H2,1-4H3.
What are the key properties of 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine?
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117356696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).