N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine

C16H22N2O — CID 62292089

IUPACN-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCOc1nc(CNCC(C)C)cc2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-19-16-15-8-6-5-7-13(15)9-14(18-16)11-17-10-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyXOYBBNMXGJZMSB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.38
Rot. Bonds6

About N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine

N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 62292089) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID62292089
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCOc1nc(CNCC(C)C)cc2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-19-16-15-8-6-5-7-13(15)9-14(18-16)11-17-10-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyXOYBBNMXGJZMSB-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073
N-[(1-but-3-enoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62287374
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
N-[(1-pent-4-enoxyisoquinolin-3-yl)methyl]ethanamine
CID 79112680
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62286435
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 114470589
N-[[1-[(2-methylpropan-2-yl)oxy]isoquinolin-3-yl]methyl]ethanamine
CID 62292555

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine (CID 62292089) is N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine is CCOc1nc(CNCC(C)C)cc2ccccc12.
What is the InChIKey of N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XOYBBNMXGJZMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-16-15-8-6-5-7-13(15)9-14(18-16)11-17-10-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine?
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62292089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).