5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine

C14H24ClN3O2 — CID 102928686

IUPAC5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
SMILESCCCNC(CCOCCOC)c1cc(Cl)cnc1N
InChIInChI=1S/C14H24ClN3O2/c1-3-5-17-13(4-6-20-8-7-19-2)12-9-11(15)10-18-14(12)16/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18)
InChIKeyKUKMTVRKTXQUHQ-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.41
Rot. Bonds10

About 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine

5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine (PubChem CID 102928686) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
PubChem CID102928686
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
SMILESCCCNC(CCOCCOC)c1cc(Cl)cnc1N
InChIInChI=1S/C14H24ClN3O2/c1-3-5-17-13(4-6-20-8-7-19-2)12-9-11(15)10-18-14(12)16/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18)
InChIKeyKUKMTVRKTXQUHQ-UHFFFAOYSA-N
XLogP2.41
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
CID 65092647
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
CID 103150032
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine (CID 102928686) is 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine is CCCNC(CCOCCOC)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine?
The InChIKey is KUKMTVRKTXQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-3-5-17-13(4-6-20-8-7-19-2)12-9-11(15)10-18-14(12)16/h9-10,13,17H,3-8H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine?
5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine has a molecular weight of 301.82 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 102928686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).