8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine

C16H16ClFN2 — CID 89200460

IUPAC8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCN1Cc2c(Cl)cc(N)cc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H16ClFN2/c1-20-8-14(10-2-4-11(18)5-3-10)13-6-12(19)7-16(17)15(13)9-20/h2-7,14H,8-9,19H2,1H3
InChIKeyDXNANVXTTMHZSF-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.64
Rot. Bonds1

About 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine

8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 89200460) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID89200460
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCN1Cc2c(Cl)cc(N)cc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H16ClFN2/c1-20-8-14(10-2-4-11(18)5-3-10)13-6-12(19)7-16(17)15(13)9-20/h2-7,14H,8-9,19H2,1H3
InChIKeyDXNANVXTTMHZSF-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.64
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

4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 22386894
8-Amino-4-p-chloro-phenyl-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 14493695
5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)aniline
CID 11778036
3-chloro-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylaniline
CID 18538801
3-chloro-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylaniline
CID 18539190
1-(3-chloro-4-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54411274
2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 69947797
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 69949204
3-[[2-[6-chloro-3-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethylamino]methyl]aniline
CID 89107699
N-[3-(6-amino-8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroethanesulfonamide
CID 89200425
1-[7-amino-5-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanol
CID 90935561
[6-(2-Chloro-5-fluorophenyl)-1,2,3,4-tetrahydroquinolin-5-yl]methanamine
CID 123568855

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine (CID 89200460) is 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine is CN1Cc2c(Cl)cc(N)cc2C(c2ccc(F)cc2)C1.
What is the InChIKey of 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is DXNANVXTTMHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-20-8-14(10-2-4-11(18)5-3-10)13-6-12(19)7-16(17)15(13)9-20/h2-7,14H,8-9,19H2,1H3.
What are the key properties of 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine?
8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 290.77 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 89200460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).