(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C18H19F3N2O — CID 171252024

IUPAC(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)24-16-9-5-14(6-10-16)17(22)13-3-7-15(8-4-13)23-11-1-2-12-23/h3-10,17H,1-2,11-12,22H2/t17-/m0/s1
InChIKeyFYMGWIKKAJHDJB-KRWDZBQOSA-N
MW336.36 g/mol
LogP4.23
Rot. Bonds4

About (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171252024) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171252024
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)24-16-9-5-14(6-10-16)17(22)13-3-7-15(8-4-13)23-11-1-2-12-23/h3-10,17H,1-2,11-12,22H2/t17-/m0/s1
InChIKeyFYMGWIKKAJHDJB-KRWDZBQOSA-N
XLogP4.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 142618828

Frequently Asked Questions

What is the IUPAC name of (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171252024) is (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is FYMGWIKKAJHDJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)24-16-9-5-14(6-10-16)17(22)13-3-7-15(8-4-13)23-11-1-2-12-23/h3-10,17H,1-2,11-12,22H2/t17-/m0/s1.
What are the key properties of (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 336.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171252024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).