1-isoquinolin-1-yl-4-phenylbutan-1-amine

C19H20N2 — CID 63950465

IUPAC1-isoquinolin-1-yl-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C19H20N2/c20-18(12-6-9-15-7-2-1-3-8-15)19-17-11-5-4-10-16(17)13-14-21-19/h1-5,7-8,10-11,13-14,18H,6,9,12,20H2
InChIKeyDYLSOXUBWBSNQX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.26
Rot. Bonds5

About 1-isoquinolin-1-yl-4-phenylbutan-1-amine

1-isoquinolin-1-yl-4-phenylbutan-1-amine (PubChem CID 63950465) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-4-phenylbutan-1-amine
PubChem CID63950465
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-isoquinolin-1-yl-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C19H20N2/c20-18(12-6-9-15-7-2-1-3-8-15)19-17-11-5-4-10-16(17)13-14-21-19/h1-5,7-8,10-11,13-14,18H,6,9,12,20H2
InChIKeyDYLSOXUBWBSNQX-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
1-[(3S)-5-phenylpent-1-en-3-yl]isoquinoline
CID 162411621
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
CID 166554301
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
2-(3,4-difluorophenyl)-1-isoquinolin-1-ylethanamine
CID 82909646
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-4-phenylbutan-1-amine?
The IUPAC name of 1-isoquinolin-1-yl-4-phenylbutan-1-amine (CID 63950465) is 1-isoquinolin-1-yl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-1-yl-4-phenylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-1-yl-4-phenylbutan-1-amine is NC(CCCc1ccccc1)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-4-phenylbutan-1-amine?
The InChIKey is DYLSOXUBWBSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c20-18(12-6-9-15-7-2-1-3-8-15)19-17-11-5-4-10-16(17)13-14-21-19/h1-5,7-8,10-11,13-14,18H,6,9,12,20H2.
What are the key properties of 1-isoquinolin-1-yl-4-phenylbutan-1-amine?
1-isoquinolin-1-yl-4-phenylbutan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-4-phenylbutan-1-amine is sourced from PubChem (CID 63950465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).