(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H15ClFN — CID 81454834

IUPAC(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cccc(F)c1Cl
InChIInChI=1S/C16H15ClFN/c17-15-13(5-2-6-14(15)18)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2
InChIKeyRFRPNMPEONEAMA-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.02
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 81454834) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID81454834
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cccc(F)c1Cl
InChIInChI=1S/C16H15ClFN/c17-15-13(5-2-6-14(15)18)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2
InChIKeyRFRPNMPEONEAMA-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 81454834) is (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is RFRPNMPEONEAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-13(5-2-6-14(15)18)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 275.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 81454834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).