[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine

C19H21F3N2 — CID 89377880

IUPAC[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine
SMILESC=C1C=C(c2cccc(C(F)(F)F)c2)N=C1C1CCC(CN)CC1
InChIInChI=1S/C19H21F3N2/c1-12-9-17(15-3-2-4-16(10-15)19(20,21)22)24-18(12)14-7-5-13(11-23)6-8-14/h2-4,9-10,13-14H,1,5-8,11,23H2
InChIKeyLLRUCQYKKVPBGD-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.82
Rot. Bonds3

About [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine

[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine (PubChem CID 89377880) has the molecular formula C19H21F3N2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine
PubChem CID89377880
Molecular FormulaC19H21F3N2
Molecular Weight334.38 g/mol
Exact Mass334.17
IUPAC Name[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine
SMILESC=C1C=C(c2cccc(C(F)(F)F)c2)N=C1C1CCC(CN)CC1
InChIInChI=1S/C19H21F3N2/c1-12-9-17(15-3-2-4-16(10-15)19(20,21)22)24-18(12)14-7-5-13(11-23)6-8-14/h2-4,9-10,13-14H,1,5-8,11,23H2
InChIKeyLLRUCQYKKVPBGD-UHFFFAOYSA-N
XLogP4.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine (CID 89377880) is [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine is C=C1C=C(c2cccc(C(F)(F)F)c2)N=C1C1CCC(CN)CC1.
What is the InChIKey of [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine?
The InChIKey is LLRUCQYKKVPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c1-12-9-17(15-3-2-4-16(10-15)19(20,21)22)24-18(12)14-7-5-13(11-23)6-8-14/h2-4,9-10,13-14H,1,5-8,11,23H2.
What are the key properties of [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine?
[4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine has a molecular weight of 334.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methylidene-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]cyclohexyl]methanamine is sourced from PubChem (CID 89377880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).