1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine

C18H17ClN2 — CID 104997370

IUPAC1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
SMILESCc1cc(C(N)Cc2ccnc3ccccc23)ccc1Cl
InChIInChI=1S/C18H17ClN2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-10,17H,11,20H2,1H3
InChIKeyGKSXHCDYAADWLB-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.44
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine

1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine (PubChem CID 104997370) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
PubChem CID104997370
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
SMILESCc1cc(C(N)Cc2ccnc3ccccc23)ccc1Cl
InChIInChI=1S/C18H17ClN2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-10,17H,11,20H2,1H3
InChIKeyGKSXHCDYAADWLB-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
4-(2-chlorobutyl)quinoline
CID 63203241
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine (CID 104997370) is 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine is Cc1cc(C(N)Cc2ccnc3ccccc23)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine?
The InChIKey is GKSXHCDYAADWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-10,17H,11,20H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine?
1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).