N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine

C17H19BrClNO — CID 43493554

IUPACN-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(Br)ccc1OCC
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(12-6-5-7-14(19)10-12)15-11-13(18)8-9-16(15)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyPNYADURAUZVGDF-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.20
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine

N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine (PubChem CID 43493554) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
PubChem CID43493554
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(Br)ccc1OCC
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(12-6-5-7-14(19)10-12)15-11-13(18)8-9-16(15)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyPNYADURAUZVGDF-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43487317
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine (CID 43493554) is N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cc(Br)ccc1OCC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine?
The InChIKey is PNYADURAUZVGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-20-17(12-6-5-7-14(19)10-12)15-11-13(18)8-9-16(15)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine?
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine has a molecular weight of 368.70 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43493554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).