1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine

C16H15ClFN — CID 114853430

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCc2ccccc21
InChIInChI=1S/C16H15ClFN/c17-13-6-5-12(15(18)9-13)10-16(19)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,19H2
InChIKeyXLQXTLALERGKFO-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.82
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine

1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 114853430) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
PubChem CID114853430
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CCc2ccccc21
InChIInChI=1S/C16H15ClFN/c17-13-6-5-12(15(18)9-13)10-16(19)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,19H2
InChIKeyXLQXTLALERGKFO-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 53.82
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-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407465
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114861522
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 107353722
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine (CID 114853430) is 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2ccc(Cl)cc2F)CCc2ccccc21.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is XLQXTLALERGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-6-5-12(15(18)9-13)10-16(19)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,19H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine?
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 114853430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).