N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine

C18H17BrN2 — CID 43780492

IUPACN-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
SMILESCCC(Nc1cccc2cnccc12)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2/c1-2-17(13-5-3-7-15(19)11-13)21-18-8-4-6-14-12-20-10-9-16(14)18/h3-12,17,21H,2H2,1H3
InChIKeyHCXBVHGNTPHVOO-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.56
Rot. Bonds4

About N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine

N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine (PubChem CID 43780492) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
PubChem CID43780492
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
SMILESCCC(Nc1cccc2cnccc12)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2/c1-2-17(13-5-3-7-15(19)11-13)21-18-8-4-6-14-12-20-10-9-16(14)18/h3-12,17,21H,2H2,1H3
InChIKeyHCXBVHGNTPHVOO-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine (CID 43780492) is N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine is CCC(Nc1cccc2cnccc12)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine?
The InChIKey is HCXBVHGNTPHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-2-17(13-5-3-7-15(19)11-13)21-18-8-4-6-14-12-20-10-9-16(14)18/h3-12,17,21H,2H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine?
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine has a molecular weight of 341.25 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine is sourced from PubChem (CID 43780492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).