1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride

C14H17ClF6N2 — CID 119917520

IUPAC1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N)C1.Cl
InChIInChI=1S/C14H16F6N2.ClH/c1-8(22-3-2-12(21)7-22)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;/h4-6,8,12H,2-3,7,21H2,1H3;1H
InChIKeyODGRCBFXSLZYKO-UHFFFAOYSA-N
MW362.75 g/mol
LogP4.24
Rot. Bonds2

About 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride

1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917520) has the molecular formula C14H17ClF6N2 and a molecular weight of 362.75 g/mol. Its IUPAC name is 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917520
Molecular FormulaC14H17ClF6N2
Molecular Weight362.75 g/mol
Exact Mass362.10
IUPAC Name1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N)C1.Cl
InChIInChI=1S/C14H16F6N2.ClH/c1-8(22-3-2-12(21)7-22)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;/h4-6,8,12H,2-3,7,21H2,1H3;1H
InChIKeyODGRCBFXSLZYKO-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 125147860
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(3S)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-3-amine;hydrochloride
CID 130617405
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride (CID 119917520) is 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N)C1.Cl.
What is the InChIKey of 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is ODGRCBFXSLZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2.ClH/c1-8(22-3-2-12(21)7-22)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;/h4-6,8,12H,2-3,7,21H2,1H3;1H.
What are the key properties of 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride?
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 362.75 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).