N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine

C16H22N2 — CID 82447866

IUPACN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C16H22N2/c1-5-17-10-13-9-15(11(2)3)18-16-12(4)7-6-8-14(13)16/h6-9,11,17H,5,10H2,1-4H3
InChIKeyCXJYHIBBGZFUOM-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.78
Rot. Bonds4

About N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine

N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine (PubChem CID 82447866) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
PubChem CID82447866
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C16H22N2/c1-5-17-10-13-9-15(11(2)3)18-16-12(4)7-6-8-14(13)16/h6-9,11,17H,5,10H2,1-4H3
InChIKeyCXJYHIBBGZFUOM-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82448033
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine
CID 82449604
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82447884
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine (CID 82447866) is N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine is CCNCc1cc(C(C)C)nc2c(C)cccc12.
What is the InChIKey of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The InChIKey is CXJYHIBBGZFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-17-10-13-9-15(11(2)3)18-16-12(4)7-6-8-14(13)16/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine?
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 82447866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).