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

C18H25ClN2 — CID 82448987

IUPACN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C18H25ClN2/c1-6-12(2)20-11-13-10-16(18(3,4)5)21-17-14(13)8-7-9-15(17)19/h7-10,12,20H,6,11H2,1-5H3
InChIKeySTHJVMPNGIGHPV-UHFFFAOYSA-N
MW304.87 g/mol
LogP5.07
Rot. Bonds4

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

N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82448987) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
PubChem CID82448987
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC NameN-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C18H25ClN2/c1-6-12(2)20-11-13-10-16(18(3,4)5)21-17-14(13)8-7-9-15(17)19/h7-10,12,20H,6,11H2,1-5H3
InChIKeySTHJVMPNGIGHPV-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.87
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine with MolForge

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Related Compounds

N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
CID 82449353
2-tert-butyl-8-chloroquinoline-4-carbohydrazide
CID 82449002
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
CID 82449722
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine
CID 153459100

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine (CID 82448987) is N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C(C)(C)C)nc2c(Cl)cccc12.
What is the InChIKey of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is STHJVMPNGIGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-6-12(2)20-11-13-10-16(18(3,4)5)21-17-14(13)8-7-9-15(17)19/h7-10,12,20H,6,11H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine?
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 304.87 g/mol, XLogP of 5.07, 4 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]butan-2-amine is sourced from PubChem (CID 82448987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).