N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine

C16H19BrClNO2 — CID 107998930

IUPACN-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1
InChIInChI=1S/C16H19BrClNO2/c1-3-8-19-16(11-4-6-14(18)13(17)9-11)15-7-5-12(21-15)10-20-2/h4-7,9,16,19H,3,8,10H2,1-2H3
InChIKeySWVXUOFCJHTKPO-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.93
Rot. Bonds7

About N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 107998930) has the molecular formula C16H19BrClNO2 and a molecular weight of 372.69 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID107998930
Molecular FormulaC16H19BrClNO2
Molecular Weight372.69 g/mol
Exact Mass371.03
IUPAC NameN-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1
InChIInChI=1S/C16H19BrClNO2/c1-3-8-19-16(11-4-6-14(18)13(17)9-11)15-7-5-12(21-15)10-20-2/h4-7,9,16,19H,3,8,10H2,1-2H3
InChIKeySWVXUOFCJHTKPO-UHFFFAOYSA-N
XLogP4.93
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]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

1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107998926
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(2,5-dibromothiophen-3-yl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107961368
N-[(3-bromo-4-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395392
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 107998930) is N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(Br)c1)c1ccc(COC)o1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is SWVXUOFCJHTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO2/c1-3-8-19-16(11-4-6-14(18)13(17)9-11)15-7-5-12(21-15)10-20-2/h4-7,9,16,19H,3,8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 372.69 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107998930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).