N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C16H16F2N2 — CID 79079238

IUPACN-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1ccc(CNC2CCCc3cccnc32)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-13-7-6-12(14(18)9-13)10-20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5,10H2
InChIKeyMILMSDJOPXAXFC-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.53
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079238) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079238
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1ccc(CNC2CCCc3cccnc32)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-13-7-6-12(14(18)9-13)10-20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5,10H2
InChIKeyMILMSDJOPXAXFC-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773684
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 141048926
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-[(5-methylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079632

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079238) is N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Fc1ccc(CNC2CCCc3cccnc32)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MILMSDJOPXAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-13-7-6-12(14(18)9-13)10-20-15-5-1-3-11-4-2-8-19-16(11)15/h2,4,6-9,15,20H,1,3,5,10H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 274.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).