2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine

C16H17ClN2O — CID 63271337

IUPAC2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
SMILESCC1(C)Cc2cc(CNc3cccnc3Cl)ccc2O1
InChIInChI=1S/C16H17ClN2O/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-19-13-4-3-7-18-15(13)17/h3-8,19H,9-10H2,1-2H3
InChIKeyDMWQXCHJRVPQLM-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine

2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine (PubChem CID 63271337) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
PubChem CID63271337
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
SMILESCC1(C)Cc2cc(CNc3cccnc3Cl)ccc2O1
InChIInChI=1S/C16H17ClN2O/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-19-13-4-3-7-18-15(13)17/h3-8,19H,9-10H2,1-2H3
InChIKeyDMWQXCHJRVPQLM-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylaniline
CID 60722706
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
5-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63423470
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2,5-dibromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]aniline
CID 63446452
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 119121837
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63419332
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine
CID 55168343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine (CID 63271337) is 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine is CC1(C)Cc2cc(CNc3cccnc3Cl)ccc2O1.
What is the InChIKey of 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine?
The InChIKey is DMWQXCHJRVPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-19-13-4-3-7-18-15(13)17/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine?
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine has a molecular weight of 288.78 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 63271337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).