N-(quinolin-4-ylmethyl)ethanamine

C12H14N2 — CID 58978367

IUPACN-(quinolin-4-ylmethyl)ethanamine
SMILESCCNCc1ccnc2ccccc12
InChIInChI=1S/C12H14N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h3-8,13H,2,9H2,1H3
InChIKeyWSHIODWWDZSWMB-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.34
Rot. Bonds3

About N-(quinolin-4-ylmethyl)ethanamine

N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 58978367) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)ethanamine
PubChem CID58978367
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-(quinolin-4-ylmethyl)ethanamine
SMILESCCNCc1ccnc2ccccc12
InChIInChI=1S/C12H14N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h3-8,13H,2,9H2,1H3
InChIKeyWSHIODWWDZSWMB-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-(quinolin-4-ylmethyl)aniline
CID 57199115
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of N-(quinolin-4-ylmethyl)ethanamine (CID 58978367) is N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for N-(quinolin-4-ylmethyl)ethanamine is CCNCc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is WSHIODWWDZSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h3-8,13H,2,9H2,1H3.
What are the key properties of N-(quinolin-4-ylmethyl)ethanamine?
N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 186.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 58978367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).