N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine

C18H23NO — CID 43395503

IUPACN-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCc3ccco3)CC2)cc1
InChIInChI=1S/C18H23NO/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-12-18-7-4-14-20-18/h1-7,14,16-17,19H,8-13H2
InChIKeyONACCMLAFXTNQO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine

N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine (PubChem CID 43395503) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
PubChem CID43395503
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCc3ccco3)CC2)cc1
InChIInChI=1S/C18H23NO/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-12-18-7-4-14-20-18/h1-7,14,16-17,19H,8-13H2
InChIKeyONACCMLAFXTNQO-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine (CID 43395503) is N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine is c1ccc(C2CCC(NCCc3ccco3)CC2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine?
The InChIKey is ONACCMLAFXTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-12-18-7-4-14-20-18/h1-7,14,16-17,19H,8-13H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine?
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 43395503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).