4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide

C18H22N2O2 — CID 119300010

IUPAC4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
SMILESCc1cccc(OCC(C)NC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13-4-3-5-17(10-13)22-12-14(2)20-18(21)16-8-6-15(11-19)7-9-16/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyGEHAWLCHCKBNTF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide

4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide (PubChem CID 119300010) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
PubChem CID119300010
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
SMILESCc1cccc(OCC(C)NC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13-4-3-5-17(10-13)22-12-14(2)20-18(21)16-8-6-15(11-19)7-9-16/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyGEHAWLCHCKBNTF-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide 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

4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012
2-amino-N-[1-(3-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 120667713
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
CID 86828499
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
CID 119950399
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058712
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide (CID 119300010) is 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide is Cc1cccc(OCC(C)NC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is GEHAWLCHCKBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-4-3-5-17(10-13)22-12-14(2)20-18(21)16-8-6-15(11-19)7-9-16/h3-10,14H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide?
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 119300010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).