1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C18H21Cl2N3 — CID 142725857

IUPAC1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3/c1-21-16(12-23-8-2-3-9-23)14-6-4-13(5-7-14)15-10-17(19)22-18(20)11-15/h4-7,10-11,16,21H,2-3,8-9,12H2,1H3
InChIKeyFYJZXZOFBQASMS-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.41
Rot. Bonds5

About 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine

1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 142725857) has the molecular formula C18H21Cl2N3 and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID142725857
Molecular FormulaC18H21Cl2N3
Molecular Weight350.29 g/mol
Exact Mass349.11
IUPAC Name1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3/c1-21-16(12-23-8-2-3-9-23)14-6-4-13(5-7-14)15-10-17(19)22-18(20)11-15/h4-7,10-11,16,21H,2-3,8-9,12H2,1H3
InChIKeyFYJZXZOFBQASMS-UHFFFAOYSA-N
XLogP4.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725802
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide
CID 76542594
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine
CID 142734330
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 142725857) is 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CNC(CN1CCCC1)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is FYJZXZOFBQASMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3/c1-21-16(12-23-8-2-3-9-23)14-6-4-13(5-7-14)15-10-17(19)22-18(20)11-15/h4-7,10-11,16,21H,2-3,8-9,12H2,1H3.
What are the key properties of 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 350.29 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 142725857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).