(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

C16H17BrClNO2 — CID 105035320

IUPAC(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10,16H,8-9,19H2,1H3
InChIKeyQALSQJYHSMBBQL-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.18
Rot. Bonds6

About (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 105035320) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID105035320
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10,16H,8-9,19H2,1H3
InChIKeyQALSQJYHSMBBQL-UHFFFAOYSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanamine
CID 104660123
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (CID 105035320) is (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is QALSQJYHSMBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10,16H,8-9,19H2,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 370.67 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 105035320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).