N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine

C16H21ClN2 — CID 82448981

IUPACN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-5-18-10-11-9-14(16(2,3)4)19-15-12(11)7-6-8-13(15)17/h6-9,18H,5,10H2,1-4H3
InChIKeyZZCNJRBNWZXXHX-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.30
Rot. Bonds3

About N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine

N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine (PubChem CID 82448981) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
PubChem CID82448981
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-5-18-10-11-9-14(16(2,3)4)19-15-12(11)7-6-8-13(15)17/h6-9,18H,5,10H2,1-4H3
InChIKeyZZCNJRBNWZXXHX-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
2-tert-butyl-8-chloroquinoline-4-carbohydrazide
CID 82449002
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
CID 82449722
1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
CID 82449353
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
CID 82448026
N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448482
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82448033
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine (CID 82448981) is N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine is CCNCc1cc(C(C)(C)C)nc2c(Cl)cccc12.
What is the InChIKey of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine?
The InChIKey is ZZCNJRBNWZXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-5-18-10-11-9-14(16(2,3)4)19-15-12(11)7-6-8-13(15)17/h6-9,18H,5,10H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine?
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine has a molecular weight of 276.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 82448981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).