N-tert-butyl-4-chloro-3-phenylquinolin-2-amine

C19H19ClN2 — CID 72701186

IUPACN-tert-butyl-4-chloro-3-phenylquinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C19H19ClN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22)
InChIKeyVSCKBTVWASMHFM-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.77
Rot. Bonds2

About N-tert-butyl-4-chloro-3-phenylquinolin-2-amine

N-tert-butyl-4-chloro-3-phenylquinolin-2-amine (PubChem CID 72701186) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-3-phenylquinolin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-3-phenylquinolin-2-amine
PubChem CID72701186
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-tert-butyl-4-chloro-3-phenylquinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C19H19ClN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22)
InChIKeyVSCKBTVWASMHFM-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine
CID 72701717
N-tert-butyl-6-chloro-2-phenylquinolin-4-amine
CID 166442508
3-chloro-2,4-diphenylquinoline
CID 10781654
N-tert-butyl-3,4-bis(4-methylphenyl)isoquinolin-1-amine
CID 122214707
N-[(4-chloro-3-phenylquinolin-2-yl)methyl]but-1-en-2-amine
CID 155349290
2-tert-butyl-9-chloroacridine
CID 620349
N-tert-butyl-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 122214708
3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
CID 72701858
N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 168796205
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
4-chloro-N-methyl-3-nitroquinolin-2-amine
CID 70975596
2-(3-amino-4-phenylquinolin-2-yl)propan-2-ol
CID 132590331

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-3-phenylquinolin-2-amine?
The IUPAC name of N-tert-butyl-4-chloro-3-phenylquinolin-2-amine (CID 72701186) is N-tert-butyl-4-chloro-3-phenylquinolin-2-amine.
What is the SMILES notation for N-tert-butyl-4-chloro-3-phenylquinolin-2-amine?
The canonical SMILES for N-tert-butyl-4-chloro-3-phenylquinolin-2-amine is CC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1.
What is the InChIKey of N-tert-butyl-4-chloro-3-phenylquinolin-2-amine?
The InChIKey is VSCKBTVWASMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-19(2,3)22-18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-4-chloro-3-phenylquinolin-2-amine?
N-tert-butyl-4-chloro-3-phenylquinolin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-3-phenylquinolin-2-amine is sourced from PubChem (CID 72701186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).