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

C21H27ClN2 — CID 156705986

IUPAC2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCCN(c1ccccc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl
InChIInChI=1S/C21H26N2.ClH/c1-2-23(20-6-4-3-5-7-20)21-11-10-18-12-13-22(15-17-8-9-17)16-19(18)14-21;/h3-7,10-11,14,17H,2,8-9,12-13,15-16H2,1H3;1H
InChIKeyREBARDDUDUBXIO-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.03
Rot. Bonds5

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

2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 156705986) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID156705986
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCCN(c1ccccc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl
InChIInChI=1S/C21H26N2.ClH/c1-2-23(20-6-4-3-5-7-20)21-11-10-18-12-13-22(15-17-8-9-17)16-19(18)14-21;/h3-7,10-11,14,17H,2,8-9,12-13,15-16H2,1H3;1H
InChIKeyREBARDDUDUBXIO-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (CID 156705986) is 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is CCN(c1ccccc1)c1ccc2c(c1)CN(CC1CC1)CC2.Cl.
What is the InChIKey of 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is REBARDDUDUBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.ClH/c1-2-23(20-6-4-3-5-7-20)21-11-10-18-12-13-22(15-17-8-9-17)16-19(18)14-21;/h3-7,10-11,14,17H,2,8-9,12-13,15-16H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 156705986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).