3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine

C19H24N2 — CID 43829488

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine
SMILESCC(N1CCc2ccccc2C1)C(C)(N)c1ccccc1
InChIInChI=1S/C19H24N2/c1-15(19(2,20)18-10-4-3-5-11-18)21-13-12-16-8-6-7-9-17(16)14-21/h3-11,15H,12-14,20H2,1-2H3
InChIKeyATLMAUVESDCCKH-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.31
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine (PubChem CID 43829488) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine
PubChem CID43829488
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine
SMILESCC(N1CCc2ccccc2C1)C(C)(N)c1ccccc1
InChIInChI=1S/C19H24N2/c1-15(19(2,20)18-10-4-3-5-11-18)21-13-12-16-8-6-7-9-17(16)14-21/h3-11,15H,12-14,20H2,1-2H3
InChIKeyATLMAUVESDCCKH-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
CID 55070081
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;dihydrochloride
CID 119523145
(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97206357
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol
CID 142852198
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 119103449
(2S)-2-phenylbutane-2,3-diamine
CID 175403934

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine (CID 43829488) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine is CC(N1CCc2ccccc2C1)C(C)(N)c1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine?
The InChIKey is ATLMAUVESDCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15(19(2,20)18-10-4-3-5-11-18)21-13-12-16-8-6-7-9-17(16)14-21/h3-11,15H,12-14,20H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 43829488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).