4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide

C13H19FN2O2 — CID 115155399

IUPAC4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(F)cc1CCNC(=O)CCCN
InChIInChI=1S/C13H19FN2O2/c1-18-12-5-4-11(14)9-10(12)6-8-16-13(17)3-2-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyNPWAPPLQZIIRCN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds7

About 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide

4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide (PubChem CID 115155399) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
PubChem CID115155399
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(F)cc1CCNC(=O)CCCN
InChIInChI=1S/C13H19FN2O2/c1-18-12-5-4-11(14)9-10(12)6-8-16-13(17)3-2-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyNPWAPPLQZIIRCN-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide (CID 115155399) is 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide is COc1ccc(F)cc1CCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide?
The InChIKey is NPWAPPLQZIIRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-12-5-4-11(14)9-10(12)6-8-16-13(17)3-2-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide?
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 115155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).