5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C18H19BrFN — CID 63407465

IUPAC5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(Cc2ccc(Br)cc2F)CCCCc2ccccc21
InChIInChI=1S/C18H19BrFN/c19-15-9-8-14(17(20)11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11H,3-4,6,10,12,21H2
InChIKeyXXDYTGJPMBGMMT-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.71
Rot. Bonds2

About 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 63407465) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID63407465
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(Cc2ccc(Br)cc2F)CCCCc2ccccc21
InChIInChI=1S/C18H19BrFN/c19-15-9-8-14(17(20)11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11H,3-4,6,10,12,21H2
InChIKeyXXDYTGJPMBGMMT-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
5-[(4-bromothiophen-2-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407551
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
1-[(4-bromo-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114382796
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
1-[(4-bromo-2-fluorophenyl)methyl]cyclooctane-1-carbonitrile
CID 80602529

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 63407465) is 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is NC1(Cc2ccc(Br)cc2F)CCCCc2ccccc21.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is XXDYTGJPMBGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-15-9-8-14(17(20)11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11H,3-4,6,10,12,21H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 348.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 63407465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).