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

C14H15BrClNO — CID 81290836

IUPACN-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H15BrClNO/c1-2-7-17-14(13-4-3-8-18-13)10-5-6-11(15)12(16)9-10/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyQBEGMSADXPASBK-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.78
Rot. Bonds5

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

N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 81290836) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID81290836
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H15BrClNO/c1-2-7-17-14(13-4-3-8-18-13)10-5-6-11(15)12(16)9-10/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyQBEGMSADXPASBK-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851464
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
N-[(4-bromo-3-chlorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006637
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine (CID 81290836) is N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is QBEGMSADXPASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-2-7-17-14(13-4-3-8-18-13)10-5-6-11(15)12(16)9-10/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 328.64 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).