N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine

C14H16FNO — CID 116643892

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H16FNO/c1-2-3-4-7-16-10-13-9-11-8-12(15)5-6-14(11)17-13/h5-6,8,13,16H,4,7,9-10H2,1H3
InChIKeyPTEVRLPRPVSICD-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.13
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine (PubChem CID 116643892) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine
PubChem CID116643892
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H16FNO/c1-2-3-4-7-16-10-13-9-11-8-12(15)5-6-14(11)17-13/h5-6,8,13,16H,4,7,9-10H2,1H3
InChIKeyPTEVRLPRPVSICD-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine 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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
CID 104806388
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66364695
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400961
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
CID 66365277
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine (CID 116643892) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine is CC#CCCNCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine?
The InChIKey is PTEVRLPRPVSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-3-4-7-16-10-13-9-11-8-12(15)5-6-14(11)17-13/h5-6,8,13,16H,4,7,9-10H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-3-yn-1-amine is sourced from PubChem (CID 116643892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).