4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide

C14H21FN2O — CID 115156807

IUPAC4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(16)3-8-14(18)17(2)10-9-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyAHOTUVKUYUVCBO-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.95
Rot. Bonds6

About 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide

4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide (PubChem CID 115156807) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
PubChem CID115156807
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(16)3-8-14(18)17(2)10-9-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyAHOTUVKUYUVCBO-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide (CID 115156807) is 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide is CC(N)CCC(=O)N(C)CCc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide?
The InChIKey is AHOTUVKUYUVCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(16)3-8-14(18)17(2)10-9-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide?
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide is sourced from PubChem (CID 115156807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).