4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide

C19H23FN2O — CID 119325474

IUPAC4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H23FN2O/c1-2-11-22(12-10-15-4-3-5-18(20)13-15)19(23)17-8-6-16(14-21)7-9-17/h3-9,13H,2,10-12,14,21H2,1H3
InChIKeyRDQGAGYUCPNYHQ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.38
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide

4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide (PubChem CID 119325474) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
PubChem CID119325474
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H23FN2O/c1-2-11-22(12-10-15-4-3-5-18(20)13-15)19(23)17-8-6-16(14-21)7-9-17/h3-9,13H,2,10-12,14,21H2,1H3
InChIKeyRDQGAGYUCPNYHQ-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
CID 86967829
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
1-N-(aminomethyl)-4-chloro-1-N-[2-(3-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 70557880
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
CID 146101000
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide (CID 119325474) is 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide is CCCN(CCc1cccc(F)c1)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide?
The InChIKey is RDQGAGYUCPNYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-2-11-22(12-10-15-4-3-5-18(20)13-15)19(23)17-8-6-16(14-21)7-9-17/h3-9,13H,2,10-12,14,21H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide?
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide has a molecular weight of 314.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide is sourced from PubChem (CID 119325474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).