1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine

C12H13ClF3N — CID 117118415

IUPAC1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H13ClF3N/c1-7(17)11(2-3-11)8-4-9(12(14,15)16)6-10(13)5-8/h4-7H,2-3,17H2,1H3
InChIKeyCFYYJLURYPTDGE-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.74
Rot. Bonds2

About 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117118415) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117118415
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H13ClF3N/c1-7(17)11(2-3-11)8-4-9(12(14,15)16)6-10(13)5-8/h4-7H,2-3,17H2,1H3
InChIKeyCFYYJLURYPTDGE-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117114663
1-[1-(3-chloro-5-prop-1-en-2-ylphenyl)cyclopropyl]ethanamine
CID 117344060
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
CID 137333018
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-[1-[3-chloro-4,5-bis(methylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117464541
2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
CID 117364496
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine (CID 117118415) is 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is CFYYJLURYPTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c1-7(17)11(2-3-11)8-4-9(12(14,15)16)6-10(13)5-8/h4-7H,2-3,17H2,1H3.
What are the key properties of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 263.69 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).