N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide

C17H19FN2O — CID 62537171

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C17H19FN2O/c1-11-3-4-12(2)13(7-11)9-17(21)20-15-5-6-16(18)14(8-15)10-19/h3-8H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyPQKVDTHOEFBBBB-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.08
Rot. Bonds4

About N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide

N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62537171) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID62537171
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C17H19FN2O/c1-11-3-4-12(2)13(7-11)9-17(21)20-15-5-6-16(18)14(8-15)10-19/h3-8H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyPQKVDTHOEFBBBB-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
2-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)acetamide
CID 55087243
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
CID 113382054
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,5-dimethylphenyl)acetamide
CID 82880107
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide (CID 62537171) is N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)Nc2ccc(F)c(CN)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is PQKVDTHOEFBBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-3-4-12(2)13(7-11)9-17(21)20-15-5-6-16(18)14(8-15)10-19/h3-8H,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide?
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62537171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).