1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

C14H20Cl2N2O — CID 79780320

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-17-13(6-2-4-11-5-3-7-19-11)14-12(16)8-10(15)9-18-14/h8-9,11,13,17H,2-7H2,1H3
InChIKeyMOWSJCXSPMERQL-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.00
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 79780320) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID79780320
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-17-13(6-2-4-11-5-3-7-19-11)14-12(16)8-10(15)9-18-14/h8-9,11,13,17H,2-7H2,1H3
InChIKeyMOWSJCXSPMERQL-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(4-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164563
N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
CID 65164718
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
1-(4-bromo-2,6-difluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993350
N-methyl-4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-amine
CID 65164208
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
1-(3,5-dichloro-2-pyridinyl)-N,4-dimethylpent-4-en-1-amine
CID 114475430

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 79780320) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is MOWSJCXSPMERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-17-13(6-2-4-11-5-3-7-19-11)14-12(16)8-10(15)9-18-14/h8-9,11,13,17H,2-7H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 303.23 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 79780320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).