1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine

C17H19BrClNO — CID 63458623

IUPAC1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)cc1C)c1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-3-15(20)17(12-5-4-6-13(18)10-12)21-16-8-7-14(19)9-11(16)2/h4-10,15,17H,3,20H2,1-2H3
InChIKeyOGWYAVLLEIRONI-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.27
Rot. Bonds5

About 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine

1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine (PubChem CID 63458623) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
PubChem CID63458623
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)cc1C)c1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-3-15(20)17(12-5-4-6-13(18)10-12)21-16-8-7-14(19)9-11(16)2/h4-10,15,17H,3,20H2,1-2H3
InChIKeyOGWYAVLLEIRONI-UHFFFAOYSA-N
XLogP5.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
1-(3-bromophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459762
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
CID 63653949
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine (CID 63458623) is 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine is CCC(N)C(Oc1ccc(Cl)cc1C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine?
The InChIKey is OGWYAVLLEIRONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-15(20)17(12-5-4-6-13(18)10-12)21-16-8-7-14(19)9-11(16)2/h4-10,15,17H,3,20H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine?
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine is sourced from PubChem (CID 63458623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).