1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine

C14H21Cl2NO2 — CID 102928141

IUPAC1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCCOC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-17-13(5-6-19-8-7-18-2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyPRWVXBWERFIROT-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.18
Rot. Bonds9

About 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine

1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine (PubChem CID 102928141) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
PubChem CID102928141
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCCOC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-17-13(5-6-19-8-7-18-2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyPRWVXBWERFIROT-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine (CID 102928141) is 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine is CNC(CCOCCOC)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The InChIKey is PRWVXBWERFIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-17-13(5-6-19-8-7-18-2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13,17H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine has a molecular weight of 306.23 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 102928141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).