N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine

C17H20BrN3 — CID 43689538

IUPACN-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3/c1-13(14-4-6-15(18)7-5-14)20-16-8-9-17(19-12-16)21-10-2-3-11-21/h4-9,12-13,20H,2-3,10-11H2,1H3
InChIKeyPODNHKJNFHGEHX-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine

N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43689538) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43689538
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3/c1-13(14-4-6-15(18)7-5-14)20-16-8-9-17(19-12-16)21-10-2-3-11-21/h4-9,12-13,20H,2-3,10-11H2,1H3
InChIKeyPODNHKJNFHGEHX-UHFFFAOYSA-N
XLogP4.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831674
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
N-[1-(2-chlorophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689544
N-[1-(furan-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689581
N-[1-(1H-pyrazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 54881348
6-morpholin-4-yl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 43724774
N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690335
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
N-pentan-2-yl-6-piperidin-1-ylpyridin-3-amine
CID 43690334
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 43689538) is N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine is CC(Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is PODNHKJNFHGEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13(14-4-6-15(18)7-5-14)20-16-8-9-17(19-12-16)21-10-2-3-11-21/h4-9,12-13,20H,2-3,10-11H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 346.27 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43689538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).