1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine

C17H14Cl2N2 — CID 104997404

IUPAC1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N2/c18-13-7-12(8-14(19)10-13)16(20)9-11-5-6-21-17-4-2-1-3-15(11)17/h1-8,10,16H,9,20H2
InChIKeyUICYDTUJPQXKBY-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.78
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine

1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine (PubChem CID 104997404) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
PubChem CID104997404
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N2/c18-13-7-12(8-14(19)10-13)16(20)9-11-5-6-21-17-4-2-1-3-15(11)17/h1-8,10,16H,9,20H2
InChIKeyUICYDTUJPQXKBY-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997370
1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol
CID 114454142
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
CID 104997455
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
4-(2-chlorobutyl)quinoline
CID 63203241

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine (CID 104997404) is 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine is NC(Cc1ccnc2ccccc12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine?
The InChIKey is UICYDTUJPQXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-13-7-12(8-14(19)10-13)16(20)9-11-5-6-21-17-4-2-1-3-15(11)17/h1-8,10,16H,9,20H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine?
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine has a molecular weight of 317.22 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).