N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine

C17H18FNO — CID 54200485

IUPACN-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESFc1ccc2c(c1)CC[C@@H](CNCc1ccccc1)O2
InChIInChI=1S/C17H18FNO/c18-15-7-9-17-14(10-15)6-8-16(20-17)12-19-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,19H,6,8,11-12H2/t16-/m0/s1
InChIKeyPOWSHDQKNBJTRF-INIZCTEOSA-N
MW271.34 g/mol
LogP3.31
Rot. Bonds4

About N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine

N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 54200485) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID54200485
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESFc1ccc2c(c1)CC[C@@H](CNCc1ccccc1)O2
InChIInChI=1S/C17H18FNO/c18-15-7-9-17-14(10-15)6-8-16(20-17)12-19-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,19H,6,8,11-12H2/t16-/m0/s1
InChIKeyPOWSHDQKNBJTRF-INIZCTEOSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 54200485) is N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine is Fc1ccc2c(c1)CC[C@@H](CNCc1ccccc1)O2.
What is the InChIKey of N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is POWSHDQKNBJTRF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-7-9-17-14(10-15)6-8-16(20-17)12-19-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,19H,6,8,11-12H2/t16-/m0/s1.
What are the key properties of N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine?
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 271.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 54200485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).