N-(2-chlorocyclohexyl)furan-3-amine

C10H14ClNO — CID 19899936

IUPACN-(2-chlorocyclohexyl)furan-3-amine
SMILESClC1CCCCC1Nc1ccoc1
InChIInChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h5-7,9-10,12H,1-4H2
InChIKeyFGWKVVXNVLQNSB-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.24
Rot. Bonds2

About N-(2-chlorocyclohexyl)furan-3-amine

N-(2-chlorocyclohexyl)furan-3-amine (PubChem CID 19899936) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)furan-3-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)furan-3-amine
PubChem CID19899936
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC NameN-(2-chlorocyclohexyl)furan-3-amine
SMILESClC1CCCCC1Nc1ccoc1
InChIInChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h5-7,9-10,12H,1-4H2
InChIKeyFGWKVVXNVLQNSB-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)furan-3-amine?
The IUPAC name of N-(2-chlorocyclohexyl)furan-3-amine (CID 19899936) is N-(2-chlorocyclohexyl)furan-3-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)furan-3-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)furan-3-amine is ClC1CCCCC1Nc1ccoc1.
What is the InChIKey of N-(2-chlorocyclohexyl)furan-3-amine?
The InChIKey is FGWKVVXNVLQNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h5-7,9-10,12H,1-4H2.
What are the key properties of N-(2-chlorocyclohexyl)furan-3-amine?
N-(2-chlorocyclohexyl)furan-3-amine has a molecular weight of 199.68 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)furan-3-amine is sourced from PubChem (CID 19899936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).