N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine

C14H16Br2N2 — CID 112742724

IUPACN-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc[nH]1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2N2/c1-2-7-18-14(13-4-3-8-17-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17-18H,2,7H2,1H3
InChIKeyRJEUDTSLGVAKHI-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.63
Rot. Bonds5

About N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine

N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine (PubChem CID 112742724) has the molecular formula C14H16Br2N2 and a molecular weight of 372.10 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
PubChem CID112742724
Molecular FormulaC14H16Br2N2
Molecular Weight372.10 g/mol
Exact Mass369.97
IUPAC NameN-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc[nH]1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2N2/c1-2-7-18-14(13-4-3-8-17-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17-18H,2,7H2,1H3
InChIKeyRJEUDTSLGVAKHI-UHFFFAOYSA-N
XLogP4.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
N-[(2,4-dibromophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950445
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
N-[(2,4-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107945688
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[(4-ethylphenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
CID 112742707
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine (CID 112742724) is N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc[nH]1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is RJEUDTSLGVAKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2/c1-2-7-18-14(13-4-3-8-17-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17-18H,2,7H2,1H3.
What are the key properties of N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine?
N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 372.10 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 112742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).