2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H18FN3 — CID 62190601

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)nc2c1CCCC2
InChIInChI=1S/C16H18FN3/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)10-11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,19,20)
InChIKeyZQIXMRQABJHTFB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.13
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62190601) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62190601
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)nc2c1CCCC2
InChIInChI=1S/C16H18FN3/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)10-11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,19,20)
InChIKeyZQIXMRQABJHTFB-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351344
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486165
2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118240606
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472106
2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66304332
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302
2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66148327
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
[2-[(3-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 66072112
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62192630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62190601) is 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(Cc2cccc(F)c2)nc2c1CCCC2.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ZQIXMRQABJHTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)10-11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62190601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).