N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine

C16H17Cl2NO — CID 43282977

IUPACN-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)19-10-14-15(18)4-3-5-16(14)20-13-8-6-12(17)7-9-13/h3-9,11,19H,10H2,1-2H3
InChIKeyWCMQIGHWPJUQON-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.28
Rot. Bonds5

About N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43282977) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43282977
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)19-10-14-15(18)4-3-5-16(14)20-13-8-6-12(17)7-9-13/h3-9,11,19H,10H2,1-2H3
InChIKeyWCMQIGHWPJUQON-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 114319661
1-[[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 114319761
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine (CID 43282977) is N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is WCMQIGHWPJUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(2)19-10-14-15(18)4-3-5-16(14)20-13-8-6-12(17)7-9-13/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).