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

C18H19ClFN — CID 114853405

IUPAC5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCCCc2ccccc21
InChIInChI=1S/C18H19ClFN/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
InChIKeyXOAPHJHHAHZGGV-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.60
Rot. Bonds2

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

5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 114853405) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID114853405
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCCCc2ccccc21
InChIInChI=1S/C18H19ClFN/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
InChIKeyXOAPHJHHAHZGGV-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407465
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114861522

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 114853405) is 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is NC1(Cc2ccc(Cl)cc2F)CCCCc2ccccc21.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is XOAPHJHHAHZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/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-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 303.81 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 114853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).