N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine

C18H28FNO — CID 114871123

IUPACN-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCCCOC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C18H28FNO/c1-2-18(15-8-6-9-16(19)14-15)20-12-7-13-21-17-10-4-3-5-11-17/h6,8-9,14,17-18,20H,2-5,7,10-13H2,1H3
InChIKeyROHIQSUODIUVHJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.61
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine

N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871123) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871123
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCCCOC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C18H28FNO/c1-2-18(15-8-6-9-16(19)14-15)20-12-7-13-21-17-10-4-3-5-11-17/h6,8-9,14,17-18,20H,2-5,7,10-13H2,1H3
InChIKeyROHIQSUODIUVHJ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938465
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
CID 63827808
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine (CID 114871123) is N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine is CCC(NCCCOC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is ROHIQSUODIUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-2-18(15-8-6-9-16(19)14-15)20-12-7-13-21-17-10-4-3-5-11-17/h6,8-9,14,17-18,20H,2-5,7,10-13H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine?
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).