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

C16H22N2 — CID 82448033

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

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

N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine (PubChem CID 82448033) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine
PubChem CID82448033
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C)nc2c(C(C)C)cccc12
InChIInChI=1S/C16H22N2/c1-5-17-10-13-9-12(4)18-16-14(11(2)3)7-6-8-15(13)16/h6-9,11,17H,5,10H2,1-4H3
InChIKeyOECHKDKPLRXOJP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448040
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
1-(8-ethyl-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82447933
N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450215
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine (CID 82448033) is N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine is CCNCc1cc(C)nc2c(C(C)C)cccc12.
What is the InChIKey of N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine?
The InChIKey is OECHKDKPLRXOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-17-10-13-9-12(4)18-16-14(11(2)3)7-6-8-15(13)16/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine?
N-[(2-methyl-8-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-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 82448033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).