1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine

C11H15Cl2NO — CID 64535799

IUPAC1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(2,14)7-15-6-8-3-4-9(12)10(13)5-8/h3-5H,6-7,14H2,1-2H3
InChIKeyNYSHMGRYCYCQTP-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.25
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine

1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine (PubChem CID 64535799) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
PubChem CID64535799
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(2,14)7-15-6-8-3-4-9(12)10(13)5-8/h3-5H,6-7,14H2,1-2H3
InChIKeyNYSHMGRYCYCQTP-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162
1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine
CID 19018464
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
CID 134817265
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine (CID 64535799) is 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine is CC(C)(N)COCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine?
The InChIKey is NYSHMGRYCYCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(2,14)7-15-6-8-3-4-9(12)10(13)5-8/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine?
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine has a molecular weight of 248.15 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 64535799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).