N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H19Cl2NO — CID 114855553

IUPACN-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3
InChIKeyIFSBFWPRZOPNCI-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.67
Rot. Bonds4

About N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114855553) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114855553
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3
InChIKeyIFSBFWPRZOPNCI-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-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114856355
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 114855553) is N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Cl)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IFSBFWPRZOPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-12-4-5-14(19)10-16(12)21-15-8-6-13(18)7-9-15/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-chloro-2-(4-chlorophenoxy)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-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114855553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).