N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine

C13H19BrClNO — CID 114019324

IUPACN-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H19BrClNO/c1-3-5-16-13(9-17-4-2)10-6-11(14)8-12(15)7-10/h6-8,13,16H,3-5,9H2,1-2H3
InChIKeyHRDILVXWODVMQH-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.18
Rot. Bonds7

About N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine

N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine (PubChem CID 114019324) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
PubChem CID114019324
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC NameN-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H19BrClNO/c1-3-5-16-13(9-17-4-2)10-6-11(14)8-12(15)7-10/h6-8,13,16H,3-5,9H2,1-2H3
InChIKeyHRDILVXWODVMQH-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine 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-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905
[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
CID 107948361
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-[1-(3-bromo-5-chlorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 107945548
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
1-(3-bromo-5-chlorophenyl)-N-propylprop-2-yn-1-amine
CID 107946118
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
CID 79574917
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
N-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine (CID 114019324) is N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is HRDILVXWODVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-3-5-16-13(9-17-4-2)10-6-11(14)8-12(15)7-10/h6-8,13,16H,3-5,9H2,1-2H3.
What are the key properties of N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine?
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 320.66 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 114019324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).