2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine

C19H24N2 — CID 61019106

IUPAC2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCCCC(c1ccccc1)N1CCc2c(N)cccc2C1
InChIInChI=1S/C19H24N2/c1-2-7-19(15-8-4-3-5-9-15)21-13-12-17-16(14-21)10-6-11-18(17)20/h3-6,8-11,19H,2,7,12-14,20H2,1H3
InChIKeyVQECCVPOEVZIFZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.17
Rot. Bonds4

About 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61019106) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61019106
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCCCC(c1ccccc1)N1CCc2c(N)cccc2C1
InChIInChI=1S/C19H24N2/c1-2-7-19(15-8-4-3-5-9-15)21-13-12-17-16(14-21)10-6-11-18(17)20/h3-6,8-11,19H,2,7,12-14,20H2,1H3
InChIKeyVQECCVPOEVZIFZ-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.17
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

2-(2-methoxy-1-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103465020
2-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenol
CID 61019002
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-[1-(4-bromophenyl)propyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522278
2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 114832254
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpropanamide
CID 61013701
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 104592131
2-[1-(5-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903806
2-(1-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522370
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylpropanamide
CID 61015189

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 61019106) is 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine is CCCC(c1ccccc1)N1CCc2c(N)cccc2C1.
What is the InChIKey of 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is VQECCVPOEVZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-7-19(15-8-4-3-5-9-15)21-13-12-17-16(14-21)10-6-11-18(17)20/h3-6,8-11,19H,2,7,12-14,20H2,1H3.
What are the key properties of 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 280.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61019106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).