1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine

C16H17Cl2NO — CID 63457460

IUPAC1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-15(19)16(11-5-3-6-12(17)9-11)20-14-8-4-7-13(18)10-14/h3-10,15-16H,2,19H2,1H3
InChIKeyZHJJLPBTIXCKTD-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine

1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine (PubChem CID 63457460) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
PubChem CID63457460
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-15(19)16(11-5-3-6-12(17)9-11)20-14-8-4-7-13(18)10-14/h3-10,15-16H,2,19H2,1H3
InChIKeyZHJJLPBTIXCKTD-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
CID 63460803
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine (CID 63457460) is 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine is CCC(N)C(Oc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The InChIKey is ZHJJLPBTIXCKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-15(19)16(11-5-3-6-12(17)9-11)20-14-8-4-7-13(18)10-14/h3-10,15-16H,2,19H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine is sourced from PubChem (CID 63457460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).