2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine

C19H24N2 — CID 61017308

IUPAC2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1ccc(C)c(C(C)N2CCc3c(N)cccc3C2)c1
InChIInChI=1S/C19H24N2/c1-13-7-8-14(2)18(11-13)15(3)21-10-9-17-16(12-21)5-4-6-19(17)20/h4-8,11,15H,9-10,12,20H2,1-3H3
InChIKeyRWOGXPAYKCVQHM-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.00
Rot. Bonds2

About 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine

2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61017308) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61017308
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1ccc(C)c(C(C)N2CCc3c(N)cccc3C2)c1
InChIInChI=1S/C19H24N2/c1-13-7-8-14(2)18(11-13)15(3)21-10-9-17-16(12-21)5-4-6-19(17)20/h4-8,11,15H,9-10,12,20H2,1-3H3
InChIKeyRWOGXPAYKCVQHM-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine (CID 61017308) is 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine is Cc1ccc(C)c(C(C)N2CCc3c(N)cccc3C2)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is RWOGXPAYKCVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-7-8-14(2)18(11-13)15(3)21-10-9-17-16(12-21)5-4-6-19(17)20/h4-8,11,15H,9-10,12,20H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine?
2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 280.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61017308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).