N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H22FNO — CID 3116423

IUPACN-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3
InChIKeyATOIFDNGIQBLAA-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 3116423) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID3116423
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3
InChIKeyATOIFDNGIQBLAA-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 3116423) is N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is ATOIFDNGIQBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 3116423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).