N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine

C14H11ClN2O — CID 106535656

IUPACN-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESClCc1cccc(Nc2nccc3occc23)c1
InChIInChI=1S/C14H11ClN2O/c15-9-10-2-1-3-11(8-10)17-14-12-5-7-18-13(12)4-6-16-14/h1-8H,9H2,(H,16,17)
InChIKeySRGDLYYABUZGGC-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.31
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine

N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine (PubChem CID 106535656) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine
PubChem CID106535656
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC NameN-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESClCc1cccc(Nc2nccc3occc23)c1
InChIInChI=1S/C14H11ClN2O/c15-9-10-2-1-3-11(8-10)17-14-12-5-7-18-13(12)4-6-16-14/h1-8H,9H2,(H,16,17)
InChIKeySRGDLYYABUZGGC-UHFFFAOYSA-N
XLogP4.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)phenyl]-5-methoxyisoquinolin-1-amine
CID 106542683
N-[3-(chloromethyl)phenyl]quinazolin-4-amine
CID 65027326
N-[(3-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702615
N-[(3-ethoxyphenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702660
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine
CID 106535673
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732
N-[3-(chloromethyl)phenyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66324701
4-[3-(chloromethyl)anilino]-5-iodo-1H-pyrimidin-6-one
CID 136971867
5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 65027600
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine (CID 106535656) is N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine is ClCc1cccc(Nc2nccc3occc23)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The InChIKey is SRGDLYYABUZGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-9-10-2-1-3-11(8-10)17-14-12-5-7-18-13(12)4-6-16-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine?
N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).