4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine

C15H15ClN2O — CID 83167004

IUPAC4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClN2O/c1-10(18-14-9-17-6-4-13(14)16)11-2-3-15-12(8-11)5-7-19-15/h2-4,6,8-10,18H,5,7H2,1H3
InChIKeyUSCSWTMGOSFBAQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine

4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine (PubChem CID 83167004) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
PubChem CID83167004
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClN2O/c1-10(18-14-9-17-6-4-13(14)16)11-2-3-15-12(8-11)5-7-19-15/h2-4,6,8-10,18H,5,7H2,1H3
InChIKeyUSCSWTMGOSFBAQ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylaniline
CID 43766595
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
CID 107678862
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648489
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine (CID 83167004) is 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine is CC(Nc1cnccc1Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine?
The InChIKey is USCSWTMGOSFBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(18-14-9-17-6-4-13(14)16)11-2-3-15-12(8-11)5-7-19-15/h2-4,6,8-10,18H,5,7H2,1H3.
What are the key properties of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine?
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine has a molecular weight of 274.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83167004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).