5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine

C16H17Cl2N3O — CID 167915331

IUPAC5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1cc(N2CCCC2COc2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C16H17Cl2N3O/c17-11-3-5-13(6-4-11)22-10-12-2-1-7-21(12)15-8-16(19)20-9-14(15)18/h3-6,8-9,12H,1-2,7,10H2,(H2,19,20)
InChIKeyBBSKSFHGCLXVCE-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine

5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 167915331) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine
PubChem CID167915331
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1cc(N2CCCC2COc2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C16H17Cl2N3O/c17-11-3-5-13(6-4-11)22-10-12-2-1-7-21(12)15-8-16(19)20-9-14(15)18/h3-6,8-9,12H,1-2,7,10H2,(H2,19,20)
InChIKeyBBSKSFHGCLXVCE-UHFFFAOYSA-N
XLogP4.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine
CID 136588513
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 166382441
6-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 67314760
(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151731311
3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55243747
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
CID 44818987
7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 146140749
3-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]propanoic acid
CID 68998465
tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 44819169
methyl 4-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoate
CID 68999256
2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine
CID 67087042

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine (CID 167915331) is 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine is Nc1cc(N2CCCC2COc2ccc(Cl)cc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is BBSKSFHGCLXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-11-3-5-13(6-4-11)22-10-12-2-1-7-21(12)15-8-16(19)20-9-14(15)18/h3-6,8-9,12H,1-2,7,10H2,(H2,19,20).
What are the key properties of 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine?
5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 167915331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).