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

C16H15ClFN — CID 62621053

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeySWTJLVNIIXUXSY-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.52
Rot. Bonds2

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

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 62621053) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
PubChem CID62621053
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeySWTJLVNIIXUXSY-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62197516
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
2-[(5-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-amine
CID 105373067
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
1-[(2-chloro-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 55188085
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
4-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049640
4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562267

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (CID 62621053) is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is NC1(Cc2ccc(F)cc2Cl)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is SWTJLVNIIXUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-7-14(18)6-5-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 275.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62621053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).