1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

C22H26F3N3 — CID 67064883

IUPAC1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2
InChIKeyGLZJPIMYVOKGDH-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 67064883) has the molecular formula C22H26F3N3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
PubChem CID67064883
Molecular FormulaC22H26F3N3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2
InChIKeyGLZJPIMYVOKGDH-UHFFFAOYSA-N
XLogP3.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[[(1R,2S)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67397899
(3S)-1-[2-[[(1R,2S)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064941
(3S)-1-[2-[[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 51034903
(3R)-1-[2-[[(1R,2S)-2-[2-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 126485682
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 162322096
(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 70959568
(3R)-1-[2-[[(1S)-2-[4-(3,5-dichlorophenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine;hydrochloride
CID 162304750
(3R)-1-[2-[[(1R,2S)-2-[4-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 51035129
1-[2-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 77219986
N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine
CID 140765327
1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064892
1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (CID 67064883) is 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is NC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is GLZJPIMYVOKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2.
What are the key properties of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 389.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 67064883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).