N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine

C15H19ClN2O — CID 106542822

IUPACN-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC(C)CCCCl)nccc12
InChIInChI=1S/C15H19ClN2O/c1-11(5-4-9-16)18-15-13-6-3-7-14(19-2)12(13)8-10-17-15/h3,6-8,10-11H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyYSAGIHQYTMVFQP-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.06
Rot. Bonds6

About N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine

N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine (PubChem CID 106542822) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
PubChem CID106542822
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC(C)CCCCl)nccc12
InChIInChI=1S/C15H19ClN2O/c1-11(5-4-9-16)18-15-13-6-3-7-14(19-2)12(13)8-10-17-15/h3,6-8,10-11H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyYSAGIHQYTMVFQP-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-(1-chloro-3-methoxypropan-2-yl)-5-methoxyisoquinolin-1-amine
CID 114154936
N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
CID 106538035
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-bromo-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538805
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine (CID 106542822) is N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine is COc1cccc2c(NC(C)CCCCl)nccc12.
What is the InChIKey of N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine?
The InChIKey is YSAGIHQYTMVFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(5-4-9-16)18-15-13-6-3-7-14(19-2)12(13)8-10-17-15/h3,6-8,10-11H,4-5,9H2,1-2H3,(H,17,18).
What are the key properties of N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine?
N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine has a molecular weight of 278.78 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).