N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine

C16H15ClFN — CID 114841362

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFc1ccc(Cl)cc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15ClFN/c17-14-5-7-16(18)13(8-14)10-19-15-6-4-11-2-1-3-12(11)9-15/h4-9,19H,1-3,10H2
InChIKeyRSOUMHPQOCPPDM-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.58
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 114841362) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID114841362
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFc1ccc(Cl)cc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15ClFN/c17-14-5-7-16(18)13(8-14)10-19-15-6-4-11-2-1-3-12(11)9-15/h4-9,19H,1-3,10H2
InChIKeyRSOUMHPQOCPPDM-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115762404
N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 102876223
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzene-1,2-diol
CID 61319273
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
CID 60896402
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43393583

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 114841362) is N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine is Fc1ccc(Cl)cc1CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is RSOUMHPQOCPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-5-7-16(18)13(8-14)10-19-15-6-4-11-2-1-3-12(11)9-15/h4-9,19H,1-3,10H2.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 275.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 114841362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).