N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine

C17H24FNO — CID 114619942

IUPACN-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3
InChIKeyRXPNAWZXGUFGEE-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine

N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 114619942) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
PubChem CID114619942
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3
InChIKeyRXPNAWZXGUFGEE-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
CID 114619767
N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688657
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-1-amine
CID 114619872
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine (CID 114619942) is N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(OC2C=CCCC2)c(F)c1.
What is the InChIKey of N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is RXPNAWZXGUFGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h5,7,9-10,12-13,15,19H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114619942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).