2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H25ClN2O2 — CID 115958397

IUPAC2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(N)Cc1cccc(Cl)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-15(20)9-21-16-13(8-11(3)18)6-5-7-14(16)17/h5-7,10-12H,8-9,18H2,1-4H3,(H,19,20)
InChIKeySLIRCDYKOYYYER-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 115958397) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID115958397
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(N)Cc1cccc(Cl)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-15(20)9-21-16-13(8-11(3)18)6-5-7-14(16)17/h5-7,10-12H,8-9,18H2,1-4H3,(H,19,20)
InChIKeySLIRCDYKOYYYER-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
CID 115958284
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 2645609
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488323
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 115958397) is 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide is CC(N)Cc1cccc(Cl)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is SLIRCDYKOYYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-15(20)9-21-16-13(8-11(3)18)6-5-7-14(16)17/h5-7,10-12H,8-9,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 312.84 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115958397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).