N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine

C17H26FNO — CID 62108612

IUPACN-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)19-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h8-11,13,16-17,19H,3-7,12H2,1-2H3
InChIKeyPJYWBTYKOPHKLC-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.21
Rot. Bonds6

About N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine

N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 62108612) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID62108612
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)19-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h8-11,13,16-17,19H,3-7,12H2,1-2H3
InChIKeyPJYWBTYKOPHKLC-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62106031
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
2-cycloheptyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62109055
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
4-[2-bromo-1-(4-fluorophenyl)ethoxy]oxane
CID 55035749

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine (CID 62108612) is N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine is CC(C)NCC(OC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is PJYWBTYKOPHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(2)19-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h8-11,13,16-17,19H,3-7,12H2,1-2H3.
What are the key properties of N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62108612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).