N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H19Cl2NO — CID 63550550

IUPACN-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-6-15(7-5-12)21-16-9-13(18)8-14(19)10-16/h4-10,20H,11H2,1-3H3
InChIKeySNRMDLFHYLSAJE-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.67
Rot. Bonds4

About N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63550550) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63550550
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-6-15(7-5-12)21-16-9-13(18)8-14(19)10-16/h4-10,20H,11H2,1-3H3
InChIKeySNRMDLFHYLSAJE-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
N-[[4-(4-bromo-3-fluorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65201323
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63551807
2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70201413
N-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63550550) is N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SNRMDLFHYLSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-6-15(7-5-12)21-16-9-13(18)8-14(19)10-16/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63550550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).