1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine

C16H15BrF2N2 — CID 106264354

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CCC2
InChIInChI=1S/C16H15BrF2N2/c17-13-5-6-14(18)12(16(13)19)9-21-7-1-2-10-3-4-11(20)8-15(10)21/h3-6,8H,1-2,7,9,20H2
InChIKeyNFQAVEMNACDHPY-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.26
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine

1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 106264354) has the molecular formula C16H15BrF2N2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
PubChem CID106264354
Molecular FormulaC16H15BrF2N2
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CCC2
InChIInChI=1S/C16H15BrF2N2/c17-13-5-6-14(18)12(16(13)19)9-21-7-1-2-10-3-4-11(20)8-15(10)21/h3-6,8H,1-2,7,9,20H2
InChIKeyNFQAVEMNACDHPY-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 106264340
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
1-[(3-bromo-2,6-difluorophenyl)methyl]azocan-2-one
CID 106269349
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 58477873
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 63737555

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine (CID 106264354) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CCC2.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is NFQAVEMNACDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N2/c17-13-5-6-14(18)12(16(13)19)9-21-7-1-2-10-3-4-11(20)8-15(10)21/h3-6,8H,1-2,7,9,20H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 353.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 106264354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).