N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C25H25F3N2 — CID 143473450

IUPACN-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccnc1C(Cc1ccccc1)(NCC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N2/c1-18-7-6-14-29-23(18)24(30-17-20-12-13-20,16-19-8-3-2-4-9-19)21-10-5-11-22(15-21)25(26,27)28/h2-11,14-15,20,30H,12-13,16-17H2,1H3
InChIKeyHZGCMJPXCRBNHK-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.89
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine

N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 143473450) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID143473450
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC NameN-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccnc1C(Cc1ccccc1)(NCC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N2/c1-18-7-6-14-29-23(18)24(30-17-20-12-13-20,16-19-8-3-2-4-9-19)21-10-5-11-22(15-21)25(26,27)28/h2-11,14-15,20,30H,12-13,16-17H2,1H3
InChIKeyHZGCMJPXCRBNHK-UHFFFAOYSA-N
XLogP5.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
CID 143473044
1-(3,4-difluorophenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 162604583
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 58921319
(E)-N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]-2-[(Z)-prop-1-enyl]pent-2-enamide
CID 143473814
2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 59459518
4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58920671
3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 59459100
N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopenta-1,4-diene-1-sulfonamide
CID 58920328
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 143473450) is N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine is Cc1cccnc1C(Cc1ccccc1)(NCC1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HZGCMJPXCRBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2/c1-18-7-6-14-29-23(18)24(30-17-20-12-13-20,16-19-8-3-2-4-9-19)21-10-5-11-22(15-21)25(26,27)28/h2-11,14-15,20,30H,12-13,16-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 410.48 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 143473450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).