2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine

C14H17F3N2 — CID 121283309

IUPAC2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cc(C(F)(F)F)cc2c1CCN(CC1CC1)C2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)11-5-10-8-19(7-9-1-2-9)4-3-12(10)13(18)6-11/h5-6,9H,1-4,7-8,18H2
InChIKeyNOAOLWUSGPLNOW-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.06
Rot. Bonds2

About 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 121283309) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID121283309
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cc(C(F)(F)F)cc2c1CCN(CC1CC1)C2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)11-5-10-8-19(7-9-1-2-9)4-3-12(10)13(18)6-11/h5-6,9H,1-4,7-8,18H2
InChIKeyNOAOLWUSGPLNOW-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Nomifensine
CID 4528
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
2-Ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 18687359
5-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 16244386
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 2781139
2-Methyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 20269140
7-(Difluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 84658963
2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 14171269
(1R,3R)-1,3-di(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 693130
2-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 24839774
4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 24839776

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 121283309) is 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cc(C(F)(F)F)cc2c1CCN(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is NOAOLWUSGPLNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)11-5-10-8-19(7-9-1-2-9)4-3-12(10)13(18)6-11/h5-6,9H,1-4,7-8,18H2.
What are the key properties of 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 270.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 121283309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).