5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine

C18H17ClN2 — CID 63449094

IUPAC5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
SMILESCc1cccc(C(C)Nc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C18H17ClN2/c1-12-5-3-6-14(11-12)13(2)21-17-9-8-16(19)15-7-4-10-20-18(15)17/h3-11,13,21H,1-2H3
InChIKeyLDYCQYFZSZETRV-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.37
Rot. Bonds3

About 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine

5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine (PubChem CID 63449094) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
PubChem CID63449094
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
SMILESCc1cccc(C(C)Nc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C18H17ClN2/c1-12-5-3-6-14(11-12)13(2)21-17-9-8-16(19)15-7-4-10-20-18(15)17/h3-11,13,21H,1-2H3
InChIKeyLDYCQYFZSZETRV-UHFFFAOYSA-N
XLogP5.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63993460
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine (CID 63449094) is 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine is Cc1cccc(C(C)Nc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine?
The InChIKey is LDYCQYFZSZETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-5-3-6-14(11-12)13(2)21-17-9-8-16(19)15-7-4-10-20-18(15)17/h3-11,13,21H,1-2H3.
What are the key properties of 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine?
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine has a molecular weight of 296.80 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine is sourced from PubChem (CID 63449094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).