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

C13H20ClNO — CID 117356702

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(Cl)c(OC)c(CC(C)(C)N)c1
InChIInChI=1S/C13H20ClNO/c1-5-9-6-10(8-13(2,3)15)12(16-4)11(14)7-9/h6-7H,5,8,15H2,1-4H3
InChIKeySYBWTPGGRDUOAL-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.19
Rot. Bonds4

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

1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117356702) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117356702
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(Cl)c(OC)c(CC(C)(C)N)c1
InChIInChI=1S/C13H20ClNO/c1-5-9-6-10(8-13(2,3)15)12(16-4)11(14)7-9/h6-7H,5,8,15H2,1-4H3
InChIKeySYBWTPGGRDUOAL-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-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
CID 117330478
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine (CID 117356702) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine is CCc1cc(Cl)c(OC)c(CC(C)(C)N)c1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is SYBWTPGGRDUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-9-6-10(8-13(2,3)15)12(16-4)11(14)7-9/h6-7H,5,8,15H2,1-4H3.
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-chloro-5-ethyl-2-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-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117356702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).