2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine

C13H20ClNO — CID 82293238

IUPAC2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
SMILESCCOc1cc(C)c(C(C)(C)CN)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-5-16-12-6-9(2)10(7-11(12)14)13(3,4)8-15/h6-7H,5,8,15H2,1-4H3
InChIKeyLDLIKSNRYULRQG-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.28
Rot. Bonds4

About 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine

2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine (PubChem CID 82293238) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
PubChem CID82293238
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
SMILESCCOc1cc(C)c(C(C)(C)CN)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-5-16-12-6-9(2)10(7-11(12)14)13(3,4)8-15/h6-7H,5,8,15H2,1-4H3
InChIKeyLDLIKSNRYULRQG-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine (CID 82293238) is 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine is CCOc1cc(C)c(C(C)(C)CN)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is LDLIKSNRYULRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-16-12-6-9(2)10(7-11(12)14)13(3,4)8-15/h6-7H,5,8,15H2,1-4H3.
What are the key properties of 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine?
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82293238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).