1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine

C16H17Cl2NO — CID 63461961

IUPAC1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Oc1cc(Cl)cc(Cl)c1)C(C)N
InChIInChI=1S/C16H17Cl2NO/c1-10-5-3-4-6-15(10)16(11(2)19)20-14-8-12(17)7-13(18)9-14/h3-9,11,16H,19H2,1-2H3
InChIKeyDZNOLKNOPFGKNS-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.77
Rot. Bonds4

About 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine

1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine (PubChem CID 63461961) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
PubChem CID63461961
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Oc1cc(Cl)cc(Cl)c1)C(C)N
InChIInChI=1S/C16H17Cl2NO/c1-10-5-3-4-6-15(10)16(11(2)19)20-14-8-12(17)7-13(18)9-14/h3-9,11,16H,19H2,1-2H3
InChIKeyDZNOLKNOPFGKNS-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
CID 64602513
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
CID 82004722

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine (CID 63461961) is 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(Oc1cc(Cl)cc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine?
The InChIKey is DZNOLKNOPFGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-5-3-4-6-15(10)16(11(2)19)20-14-8-12(17)7-13(18)9-14/h3-9,11,16H,19H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine?
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 63461961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).