(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine

C16H16Br2ClNO — CID 104657790

IUPAC(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(Br)ccc2Cl)cc1Br
InChIInChI=1S/C16H16Br2ClNO/c1-2-7-21-15-6-3-10(8-13(15)18)16(20)12-9-11(17)4-5-14(12)19/h3-6,8-9,16H,2,7,20H2,1H3
InChIKeyCSJUZPHDSJQRLV-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.70
Rot. Bonds5

About (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine

(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine (PubChem CID 104657790) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
PubChem CID104657790
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC Name(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(Br)ccc2Cl)cc1Br
InChIInChI=1S/C16H16Br2ClNO/c1-2-7-21-15-6-3-10(8-13(15)18)16(20)12-9-11(17)4-5-14(12)19/h3-6,8-9,16H,2,7,20H2,1H3
InChIKeyCSJUZPHDSJQRLV-UHFFFAOYSA-N
XLogP5.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine with MolForge

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Related Compounds

(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581
2-bromo-4-[(4-bromo-2-chlorophenyl)-chloromethyl]-1-propoxybenzene
CID 104662005
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
(3-bromo-4-propoxyphenyl)-(4-iodophenyl)methanamine
CID 104657896
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
CID 104657901
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
CID 106684609
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
2-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-1-propoxybenzene
CID 104662049

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine (CID 104657790) is (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2cc(Br)ccc2Cl)cc1Br.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine?
The InChIKey is CSJUZPHDSJQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-2-7-21-15-6-3-10(8-13(15)18)16(20)12-9-11(17)4-5-14(12)19/h3-6,8-9,16H,2,7,20H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine?
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine has a molecular weight of 433.57 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine is sourced from PubChem (CID 104657790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).