N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C16H15ClFN — CID 78978173

IUPACN-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H15ClFN/c17-14-6-2-1-4-11(14)10-19-16-9-8-12-13(16)5-3-7-15(12)18/h1-7,16,19H,8-10H2
InChIKeySIBVXAMAGUKMPB-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.26
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 78978173) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID78978173
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H15ClFN/c17-14-6-2-1-4-11(14)10-19-16-9-8-12-13(16)5-3-7-15(12)18/h1-7,16,19H,8-10H2
InChIKeySIBVXAMAGUKMPB-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181892
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065642
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065500
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 78978173) is N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SIBVXAMAGUKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-6-2-1-4-11(14)10-19-16-9-8-12-13(16)5-3-7-15(12)18/h1-7,16,19H,8-10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78978173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).