(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine

C17H19F3N2O — CID 169189928

IUPAC(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine
SMILESC=C/C(N)=C1\CCC\C1=C(\N)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C17H19F3N2O/c1-3-14(21)11-5-4-6-12(11)16(22)13-8-7-10(17(18,19)20)9-15(13)23-2/h3,7-9H,1,4-6,21-22H2,2H3/b14-11-,16-12-
InChIKeyYBSPSRVQLFSXJV-RVFWBLQRSA-N
MW324.35 g/mol
LogP3.97
Rot. Bonds3

About (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine

(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine (PubChem CID 169189928) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine.

Molecular Properties

Compound Name(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine
PubChem CID169189928
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine
SMILESC=C/C(N)=C1\CCC\C1=C(\N)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C17H19F3N2O/c1-3-14(21)11-5-4-6-12(11)16(22)13-8-7-10(17(18,19)20)9-15(13)23-2/h3,7-9H,1,4-6,21-22H2,2H3/b14-11-,16-12-
InChIKeyYBSPSRVQLFSXJV-RVFWBLQRSA-N
XLogP3.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine with MolForge

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Related Compounds

2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
N'-[(Z)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]prop-1-en-2-yl]carbamimidoyl chloride
CID 170260176
2-methoxy-4-(trifluoromethyl)benzenecarboximidate
CID 154458446
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 146009309
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine?
The IUPAC name of (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine (CID 169189928) is (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine.
What is the SMILES notation for (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine?
The canonical SMILES for (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine is C=C/C(N)=C1\CCC\C1=C(\N)c1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine?
The InChIKey is YBSPSRVQLFSXJV-RVFWBLQRSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-3-14(21)11-5-4-6-12(11)16(22)13-8-7-10(17(18,19)20)9-15(13)23-2/h3,7-9H,1,4-6,21-22H2,2H3/b14-11-,16-12-.
What are the key properties of (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine?
(1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine has a molecular weight of 324.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2Z)-2-[amino-[2-methoxy-4-(trifluoromethyl)phenyl]methylidene]cyclopentylidene]prop-2-en-1-amine is sourced from PubChem (CID 169189928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).