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

C17H19BrClNO — CID 107946517

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

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

N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 107946517) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID107946517
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1cccc(OCC)c1
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(13-8-14(18)11-15(19)9-13)12-6-5-7-16(10-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyNVBGMSCMWZFKQQ-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

Analyze N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 114646181
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine (CID 107946517) is N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Br)c1)c1cccc(OCC)c1.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is NVBGMSCMWZFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-20-17(13-8-14(18)11-15(19)9-13)12-6-5-7-16(10-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)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-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107946517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).