1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine

C17H19Cl2NO — CID 114321998

IUPAC1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-14(20)10-15-16(19)7-4-8-17(15)21-11-12-5-3-6-13(18)9-12/h3-9,14H,2,10-11,20H2,1H3
InChIKeyUOUIAAFGAXLCAF-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.85
Rot. Bonds6

About 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine

1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 114321998) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID114321998
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-14(20)10-15-16(19)7-4-8-17(15)21-11-12-5-3-6-13(18)9-12/h3-9,14H,2,10-11,20H2,1H3
InChIKeyUOUIAAFGAXLCAF-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79795411
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
3-[[2-(2-aminopropyl)-3-chlorophenoxy]methyl]benzonitrile
CID 114321709
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine (CID 114321998) is 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is UOUIAAFGAXLCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-2-14(20)10-15-16(19)7-4-8-17(15)21-11-12-5-3-6-13(18)9-12/h3-9,14H,2,10-11,20H2,1H3.
What are the key properties of 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine?
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 114321998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).