7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine

C22H25FN2O — CID 166247536

IUPAC7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine
SMILESCCCCCOc1cc(C)ccc1CNc1ccc2ccc(F)cc2n1
InChIInChI=1S/C22H25FN2O/c1-3-4-5-12-26-21-13-16(2)6-7-18(21)15-24-22-11-9-17-8-10-19(23)14-20(17)25-22/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,24,25)
InChIKeyWEEMECRVXDWMQY-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.86
Rot. Bonds8

About 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine

7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine (PubChem CID 166247536) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine
PubChem CID166247536
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine
SMILESCCCCCOc1cc(C)ccc1CNc1ccc2ccc(F)cc2n1
InChIInChI=1S/C22H25FN2O/c1-3-4-5-12-26-21-13-16(2)6-7-18(21)15-24-22-11-9-17-8-10-19(23)14-20(17)25-22/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,24,25)
InChIKeyWEEMECRVXDWMQY-UHFFFAOYSA-N
XLogP5.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[(2-hexoxy-4-methylphenyl)methyl]pyrimidin-4-amine
CID 167835773
2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 166382170
7-[(2-hexoxy-4-methylphenyl)methylamino]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166382150
5-fluoro-2-N-[(2-hexoxy-4-methylphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 166382161
N-ethyl-7-fluoroquinolin-2-amine
CID 112695185
N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 166382202
N-[(2-hexoxy-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166382187
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine (CID 166247536) is 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine is CCCCCOc1cc(C)ccc1CNc1ccc2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine?
The InChIKey is WEEMECRVXDWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-3-4-5-12-26-21-13-16(2)6-7-18(21)15-24-22-11-9-17-8-10-19(23)14-20(17)25-22/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,24,25).
What are the key properties of 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine?
7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine has a molecular weight of 352.45 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 166247536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).