1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine

C16H17BrClNO2 — CID 43100750

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cc(Cl)cc(Br)c2OC)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-12-5-3-4-10(6-12)7-15(19)13-8-11(18)9-14(17)16(13)21-2/h3-6,8-9,15H,7,19H2,1-2H3
InChIKeyOKYTWSLVDALVDA-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 43100750) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID43100750
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cc(Cl)cc(Br)c2OC)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-12-5-3-4-10(6-12)7-15(19)13-8-11(18)9-14(17)16(13)21-2/h3-6,8-9,15H,7,19H2,1-2H3
InChIKeyOKYTWSLVDALVDA-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067613
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
CID 63430919
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine (CID 43100750) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2cc(Cl)cc(Br)c2OC)c1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is OKYTWSLVDALVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-12-5-3-4-10(6-12)7-15(19)13-8-11(18)9-14(17)16(13)21-2/h3-6,8-9,15H,7,19H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 43100750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).