N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine

C16H15ClN2O — CID 82704686

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1c(Cl)oc2ccccc12)c1ccncc1
InChIInChI=1S/C16H15ClN2O/c1-11(12-6-8-18-9-7-12)19-10-14-13-4-2-3-5-15(13)20-16(14)17/h2-9,11,19H,10H2,1H3
InChIKeyBBXISHXIAQNQEH-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.33
Rot. Bonds4

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 82704686) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID82704686
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1c(Cl)oc2ccccc12)c1ccncc1
InChIInChI=1S/C16H15ClN2O/c1-11(12-6-8-18-9-7-12)19-10-14-13-4-2-3-5-15(13)20-16(14)17/h2-9,11,19H,10H2,1H3
InChIKeyBBXISHXIAQNQEH-UHFFFAOYSA-N
XLogP4.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(2-chloro-1-benzofuran-3-yl)methyl]ethanamine
CID 82764872
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
CID 28643983
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
CID 86787323
3-[(2-chloro-1-benzofuran-3-yl)methylamino]pentanenitrile
CID 82760289
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 82705807
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine (CID 82704686) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1c(Cl)oc2ccccc12)c1ccncc1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is BBXISHXIAQNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11(12-6-8-18-9-7-12)19-10-14-13-4-2-3-5-15(13)20-16(14)17/h2-9,11,19H,10H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 286.76 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 82704686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).