1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine

C20H21F3N2 — CID 129216221

IUPAC1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N)([C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2/t16?,17-,18+,19?/m0/s1
InChIKeyBZDFKGKXSZKNGM-CXUOOODFSA-N
MW346.40 g/mol
LogP4.29
Rot. Bonds3

About 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine

1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine (PubChem CID 129216221) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
PubChem CID129216221
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N)([C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2/t16?,17-,18+,19?/m0/s1
InChIKeyBZDFKGKXSZKNGM-CXUOOODFSA-N
XLogP4.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine with MolForge

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Related Compounds

1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
CID 129216220
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397813
(3S)-1-[2-[[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 51034903
(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402726
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
1-(4-methylpiperazin-1-yl)-2-[[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 67370210
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 67370211
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 90654159
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride
CID 68922618

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine (CID 129216221) is 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine is NC1CC(N)([C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The InChIKey is BZDFKGKXSZKNGM-CXUOOODFSA-N. The full InChI is InChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2/t16?,17-,18+,19?/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine has a molecular weight of 346.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 129216221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).