3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline

C15H15ClN2 — CID 107615870

IUPAC3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
SMILESNc1ccc(C2CCCc3cccnc32)c(Cl)c1
InChIInChI=1S/C15H15ClN2/c16-14-9-11(17)6-7-12(14)13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13H,1,3,5,17H2
InChIKeyBRMMRMSALFWOII-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.79
Rot. Bonds1

About 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline

3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline (PubChem CID 107615870) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
PubChem CID107615870
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
SMILESNc1ccc(C2CCCc3cccnc32)c(Cl)c1
InChIInChI=1S/C15H15ClN2/c16-14-9-11(17)6-7-12(14)13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13H,1,3,5,17H2
InChIKeyBRMMRMSALFWOII-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
CID 79739277
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
CID 106887512
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
N-[[2-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]cyclopropanamine
CID 79723595
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The IUPAC name of 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline (CID 107615870) is 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline.
What is the SMILES notation for 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The canonical SMILES for 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline is Nc1ccc(C2CCCc3cccnc32)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The InChIKey is BRMMRMSALFWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-9-11(17)6-7-12(14)13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13H,1,3,5,17H2.
What are the key properties of 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline has a molecular weight of 258.75 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline is sourced from PubChem (CID 107615870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).