N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide

C19H21ClN2O2 — CID 95211710

IUPACN-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)C2
InChIInChI=1S/C19H21ClN2O2/c1-2-18(23)22-11-12-5-3-4-6-16(12)17-9-14(20)7-13-8-15(10-21)24-19(13)17/h3-7,9,15H,2,8,10-11,21H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyHVBYLJQZVIVLEF-OAHLLOKOSA-N
MW344.84 g/mol
LogP3.30
Rot. Bonds5

About N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide

N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide (PubChem CID 95211710) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide
PubChem CID95211710
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)C2
InChIInChI=1S/C19H21ClN2O2/c1-2-18(23)22-11-12-5-3-4-6-16(12)17-9-14(20)7-13-8-15(10-21)24-19(13)17/h3-7,9,15H,2,8,10-11,21H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyHVBYLJQZVIVLEF-OAHLLOKOSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide 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

[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 11959892
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 42212992
8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one
CID 95198498
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
CID 56706391
2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide
CID 95230846
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide?
The IUPAC name of N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide (CID 95211710) is N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)C2.
What is the InChIKey of N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide?
The InChIKey is HVBYLJQZVIVLEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-18(23)22-11-12-5-3-4-6-16(12)17-9-14(20)7-13-8-15(10-21)24-19(13)17/h3-7,9,15H,2,8,10-11,21H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide?
N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 95211710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).