N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine

C14H19ClFNO — CID 107717673

IUPACN-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccc(C(C)NCCC)c(F)c1
InChIInChI=1S/C14H19ClFNO/c1-4-7-17-11(3)13-6-5-12(8-14(13)16)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3
InChIKeyAENBGWBAMUBARA-UHFFFAOYSA-N
MW271.76 g/mol
LogP4.02
Rot. Bonds7

About N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine

N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine (PubChem CID 107717673) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
PubChem CID107717673
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccc(C(C)NCCC)c(F)c1
InChIInChI=1S/C14H19ClFNO/c1-4-7-17-11(3)13-6-5-12(8-14(13)16)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3
InChIKeyAENBGWBAMUBARA-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
CID 107717881
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
N-[1-(2-fluoro-4-pent-3-ynoxyphenyl)ethyl]propan-1-amine
CID 107717623
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 60882886
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
N-[1-[2-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]ethyl]propan-1-amine
CID 107717703
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine (CID 107717673) is N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine is C=C(Cl)COc1ccc(C(C)NCCC)c(F)c1.
What is the InChIKey of N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is AENBGWBAMUBARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-4-7-17-11(3)13-6-5-12(8-14(13)16)18-9-10(2)15/h5-6,8,11,17H,2,4,7,9H2,1,3H3.
What are the key properties of N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine?
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 107717673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).