N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine

C18H17FN2 — CID 62134419

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1cc(F)ccc1CNc1ccc(C)c2ncccc12
InChIInChI=1S/C18H17FN2/c1-12-5-8-17(16-4-3-9-20-18(12)16)21-11-14-6-7-15(19)10-13(14)2/h3-10,21H,11H2,1-2H3
InChIKeySWHMXKLXLMDNFA-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.60
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine

N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine (PubChem CID 62134419) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
PubChem CID62134419
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1cc(F)ccc1CNc1ccc(C)c2ncccc12
InChIInChI=1S/C18H17FN2/c1-12-5-8-17(16-4-3-9-20-18(12)16)21-11-14-6-7-15(19)10-13(14)2/h3-10,21H,11H2,1-2H3
InChIKeySWHMXKLXLMDNFA-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
(8-methylquinolin-5-yl)methanamine
CID 51072174
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine (CID 62134419) is N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine is Cc1cc(F)ccc1CNc1ccc(C)c2ncccc12.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine?
The InChIKey is SWHMXKLXLMDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-5-8-17(16-4-3-9-20-18(12)16)21-11-14-6-7-15(19)10-13(14)2/h3-10,21H,11H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine has a molecular weight of 280.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 62134419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).