N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine

C18H18N2O — CID 106777404

IUPACN-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-2-19-12-14-13-20-18(17-11-7-6-10-16(14)17)21-15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3
InChIKeyACRQHELKIUTJSM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.14
Rot. Bonds5

About N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine

N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine (PubChem CID 106777404) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
PubChem CID106777404
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-2-19-12-14-13-20-18(17-11-7-6-10-16(14)17)21-15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3
InChIKeyACRQHELKIUTJSM-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
CID 106777370
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106776820
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
CID 163576010
N-[[1-[4-(trifluoromethyl)phenoxy]isoquinolin-4-yl]methyl]prop-2-enamide
CID 129305218
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[(2-naphthalen-1-yloxy-3-pyridinyl)methyl]ethanamine
CID 62322003
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine (CID 106777404) is N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine is CCNCc1cnc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine?
The InChIKey is ACRQHELKIUTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-19-12-14-13-20-18(17-11-7-6-10-16(14)17)21-15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3.
What are the key properties of N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine?
N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 106777404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).