N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine

C18H19F3N2O — CID 175029304

IUPACN-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCNc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C18H19F3N2O/c1-22-16-5-4-14-8-9-23(12-15(14)10-16)11-13-2-6-17(7-3-13)24-18(19,20)21/h2-7,10,22H,8-9,11-12H2,1H3
InChIKeyPODRBXIPNTXUAM-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.19
Rot. Bonds4

About N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine

N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 175029304) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID175029304
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCNc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C18H19F3N2O/c1-22-16-5-4-14-8-9-23(12-15(14)10-16)11-13-2-6-17(7-3-13)24-18(19,20)21/h2-7,10,22H,8-9,11-12H2,1H3
InChIKeyPODRBXIPNTXUAM-UHFFFAOYSA-N
XLogP4.19
TPSA24.50 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
2-[(4-fluorosulfonyloxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline
CID 154873216
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
6-methoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline;7-methoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 160987946
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 15690617
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine (CID 175029304) is N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine is CNc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is PODRBXIPNTXUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-22-16-5-4-14-8-9-23(12-15(14)10-16)11-13-2-6-17(7-3-13)24-18(19,20)21/h2-7,10,22H,8-9,11-12H2,1H3.
What are the key properties of N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 336.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 175029304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).