N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H19BrFN — CID 107591425

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1cc(F)c(Br)cc1NC1CCCCc2ccccc21
InChIInChI=1S/C18H19BrFN/c1-12-10-16(20)15(19)11-18(12)21-17-9-5-3-7-13-6-2-4-8-14(13)17/h2,4,6,8,10-11,17,21H,3,5,7,9H2,1H3
InChIKeyLENFTCHSIWDQQP-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.78
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 107591425) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID107591425
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1cc(F)c(Br)cc1NC1CCCCc2ccccc21
InChIInChI=1S/C18H19BrFN/c1-12-10-16(20)15(19)11-18(12)21-17-9-5-3-7-13-6-2-4-8-14(13)17/h2,4,6,8,10-11,17,21H,3,5,7,9H2,1H3
InChIKeyLENFTCHSIWDQQP-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107591170
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107591731
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
N-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448599
N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63425782
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(4-fluoro-2-iodophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79769381
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 107591425) is N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1cc(F)c(Br)cc1NC1CCCCc2ccccc21.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is LENFTCHSIWDQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-12-10-16(20)15(19)11-18(12)21-17-9-5-3-7-13-6-2-4-8-14(13)17/h2,4,6,8,10-11,17,21H,3,5,7,9H2,1H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 348.26 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 107591425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).