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

C15H15BrClNO — CID 43197324

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)Cc1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-19-15-12(8-11(17)9-13(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7,18H2,1H3
InChIKeyJZHYBGNDTNNJBS-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.35
Rot. Bonds4

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

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine (PubChem CID 43197324) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
PubChem CID43197324
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)Cc1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-19-15-12(8-11(17)9-13(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7,18H2,1H3
InChIKeyJZHYBGNDTNNJBS-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43100750
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43480319
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
CID 63430919
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine (CID 43197324) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine is COc1c(Br)cc(Cl)cc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine?
The InChIKey is JZHYBGNDTNNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-15-12(8-11(17)9-13(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7,18H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 43197324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).