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

C14H14Br2ClNO — CID 115861234

IUPACN-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Cl)c1occc1Br
InChIInChI=1S/C14H14Br2ClNO/c1-2-6-18-13(14-11(16)5-7-19-14)10-4-3-9(15)8-12(10)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyLLYDFKAQDWHCSF-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.55
Rot. Bonds5

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

N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine (PubChem CID 115861234) has the molecular formula C14H14Br2ClNO and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
PubChem CID115861234
Molecular FormulaC14H14Br2ClNO
Molecular Weight407.53 g/mol
Exact Mass404.91
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Cl)c1occc1Br
InChIInChI=1S/C14H14Br2ClNO/c1-2-6-18-13(14-11(16)5-7-19-14)10-4-3-9(15)8-12(10)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyLLYDFKAQDWHCSF-UHFFFAOYSA-N
XLogP5.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
CID 106859943
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine (CID 115861234) is N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1Cl)c1occc1Br.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine?
The InChIKey is LLYDFKAQDWHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2ClNO/c1-2-6-18-13(14-11(16)5-7-19-14)10-4-3-9(15)8-12(10)17/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine?
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine has a molecular weight of 407.53 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115861234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).