3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine

C14H15ClN2O — CID 55031150

IUPAC3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
SMILESClCc1cccnc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H15ClN2O/c15-9-11-3-1-7-16-14(11)17(12-5-6-12)10-13-4-2-8-18-13/h1-4,7-8,12H,5-6,9-10H2
InChIKeyXTAXOPWGZNOTCM-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.58
Rot. Bonds5

About 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine

3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine (PubChem CID 55031150) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
PubChem CID55031150
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
SMILESClCc1cccnc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H15ClN2O/c15-9-11-3-1-7-16-14(11)17(12-5-6-12)10-13-4-2-8-18-13/h1-4,7-8,12H,5-6,9-10H2
InChIKeyXTAXOPWGZNOTCM-UHFFFAOYSA-N
XLogP3.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 61255764
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
CID 66466642
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
CID 106535419
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine (CID 55031150) is 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine is ClCc1cccnc1N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine?
The InChIKey is XTAXOPWGZNOTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-9-11-3-1-7-16-14(11)17(12-5-6-12)10-13-4-2-8-18-13/h1-4,7-8,12H,5-6,9-10H2.
What are the key properties of 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine?
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 55031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).