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

C16H15ClFN — CID 62539237

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(CNC2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-7-11(5-6-16(15)18)10-19-14-8-12-3-1-2-4-13(12)9-14/h1-7,14,19H,8-10H2
InChIKeyQTQBAXHMPSMSNE-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.74
Rot. Bonds3

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

N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 62539237) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID62539237
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(CNC2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-7-11(5-6-16(15)18)10-19-14-8-12-3-1-2-4-13(12)9-14/h1-7,14,19H,8-10H2
InChIKeyQTQBAXHMPSMSNE-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114452822
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
3-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81157197
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 62539237) is N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is Fc1ccc(CNC2Cc3ccccc3C2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QTQBAXHMPSMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-7-11(5-6-16(15)18)10-19-14-8-12-3-1-2-4-13(12)9-14/h1-7,14,19H,8-10H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 62539237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).