2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

C20H24ClFN2 — CID 156705965

IUPAC2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCN(c1ccc(F)cc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl
InChIInChI=1S/C20H23FN2.ClH/c1-22(19-8-5-18(21)6-9-19)20-7-4-16-10-11-23(13-15-2-3-15)14-17(16)12-20;/h4-9,12,15H,2-3,10-11,13-14H2,1H3;1H
InChIKeyHPUXTCMETADKGN-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.78
Rot. Bonds4

About 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 156705965) has the molecular formula C20H24ClFN2 and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID156705965
Molecular FormulaC20H24ClFN2
Molecular Weight346.88 g/mol
Exact Mass346.16
IUPAC Name2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCN(c1ccc(F)cc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl
InChIInChI=1S/C20H23FN2.ClH/c1-22(19-8-5-18(21)6-9-19)20-7-4-16-10-11-23(13-15-2-3-15)14-17(16)12-20;/h4-9,12,15H,2-3,10-11,13-14H2,1H3;1H
InChIKeyHPUXTCMETADKGN-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705986
N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 156705872
2-cyclopropyl-N-methyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705959
2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705903
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
5-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-(1,1,3,3-tetradeuteriopropan-2-yl)amino]-1-methylpyridin-2-one
CID 168873678
7-fluoro-2-[[(2R)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 138663432
3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one
CID 175834705
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
CID 84738511
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
5-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-(1,1,1,3,3-pentadeuteriopropan-2-yl)amino]-1-(dideuteriomethyl)pyridin-2-one
CID 168873681

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (CID 156705965) is 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is CN(c1ccc(F)cc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is HPUXTCMETADKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2.ClH/c1-22(19-8-5-18(21)6-9-19)20-7-4-16-10-11-23(13-15-2-3-15)14-17(16)12-20;/h4-9,12,15H,2-3,10-11,13-14H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 156705965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).