4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide

C14H21ClN2O2 — CID 63890599

IUPAC4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(16)8-11-5-6-13(12(15)9-11)19-7-3-4-14(18)17-2/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYTPBKCCUOHWAAQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds7

About 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide

4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide (PubChem CID 63890599) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
PubChem CID63890599
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(CC(C)N)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(16)8-11-5-6-13(12(15)9-11)19-7-3-4-14(18)17-2/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYTPBKCCUOHWAAQ-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63889885
4-[2-chloro-4-(propylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890097
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
4-(2-chloro-4-formylphenoxy)-N-methylbutanamide
CID 63890999
3-chloro-4-[4-(methylamino)-4-oxobutoxy]benzenesulfonyl chloride
CID 82916549
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64564905
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
CID 63058039
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide?
The IUPAC name of 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide (CID 63890599) is 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide is CNC(=O)CCCOc1ccc(CC(C)N)cc1Cl.
What is the InChIKey of 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide?
The InChIKey is YTPBKCCUOHWAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(16)8-11-5-6-13(12(15)9-11)19-7-3-4-14(18)17-2/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide?
4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide is sourced from PubChem (CID 63890599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).