1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine

C13H20ClNO — CID 117356705

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

About 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine

1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117356705) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117356705
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1c(Cl)cc(CC(C)(C)N)cc1OC
InChIInChI=1S/C13H20ClNO/c1-5-10-11(14)6-9(7-12(10)16-4)8-13(2,3)15/h6-7H,5,8,15H2,1-4H3
InChIKeyPVURBQVMRJMYKV-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

2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine (CID 117356705) is 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine is CCc1c(Cl)cc(CC(C)(C)N)cc1OC.
What is the InChIKey of 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is PVURBQVMRJMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-10-11(14)6-9(7-12(10)16-4)8-13(2,3)15/h6-7H,5,8,15H2,1-4H3.
What are the key properties of 1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-chloro-4-ethyl-5-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-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117356705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).