N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine

C13H19Cl2NO — CID 4717180

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C13H19Cl2NO/c1-5-17-12-9(8-16-13(2,3)4)6-10(14)7-11(12)15/h6-7,16H,5,8H2,1-4H3
InChIKeyDYHVYEVCEAXOGW-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.28
Rot. Bonds4

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 4717180) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID4717180
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C13H19Cl2NO/c1-5-17-12-9(8-16-13(2,3)4)6-10(14)7-11(12)15/h6-7,16H,5,8H2,1-4H3
InChIKeyDYHVYEVCEAXOGW-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 63057969
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120663
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine (CID 4717180) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine is CCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is DYHVYEVCEAXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-5-17-12-9(8-16-13(2,3)4)6-10(14)7-11(12)15/h6-7,16H,5,8H2,1-4H3.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 276.21 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 4717180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).