1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine

C16H17Cl2NO — CID 62669709

IUPAC1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
SMILESCc1ccc(OC(c2cccc(Cl)c2)C(C)N)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-6-7-15(14(18)8-10)20-16(11(2)19)12-4-3-5-13(17)9-12/h3-9,11,16H,19H2,1-2H3
InChIKeyDPZVJTCETHEPDW-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.77
Rot. Bonds4

About 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine

1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine (PubChem CID 62669709) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
PubChem CID62669709
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
SMILESCc1ccc(OC(c2cccc(Cl)c2)C(C)N)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-6-7-15(14(18)8-10)20-16(11(2)19)12-4-3-5-13(17)9-12/h3-9,11,16H,19H2,1-2H3
InChIKeyDPZVJTCETHEPDW-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-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
CID 63461552
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine (CID 62669709) is 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine is Cc1ccc(OC(c2cccc(Cl)c2)C(C)N)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine?
The InChIKey is DPZVJTCETHEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-6-7-15(14(18)8-10)20-16(11(2)19)12-4-3-5-13(17)9-12/h3-9,11,16H,19H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine?
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)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-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 62669709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).