2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

C18H21FN2 — CID 62136658

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-13-10-16(19)6-7-17(13)18(11-20)21-9-8-14-4-2-3-5-15(14)12-21/h2-7,10,18H,8-9,11-12,20H2,1H3
InChIKeyBBKGHJLFURMTTC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.19
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62136658) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62136658
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-13-10-16(19)6-7-17(13)18(11-20)21-9-8-14-4-2-3-5-15(14)12-21/h2-7,10,18H,8-9,11-12,20H2,1H3
InChIKeyBBKGHJLFURMTTC-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 63013557
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
CID 62204806
2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 43080008
3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
CID 144898615
2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 62206935
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 62136658) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(CN)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is BBKGHJLFURMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-10-16(19)6-7-17(13)18(11-20)21-9-8-14-4-2-3-5-15(14)12-21/h2-7,10,18H,8-9,11-12,20H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62136658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).