1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine

C11H15Cl2NO — CID 65092620

IUPAC1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-15-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5,10H,3,6-7,14H2,1H3
InChIKeyXBTZMOUHBOEUDV-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine

1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine (PubChem CID 65092620) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
PubChem CID65092620
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-15-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5,10H,3,6-7,14H2,1H3
InChIKeyXBTZMOUHBOEUDV-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
CID 103779812
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine (CID 65092620) is 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine is COCCCC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine?
The InChIKey is XBTZMOUHBOEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-15-7-3-6-10(14)8-4-2-5-9(12)11(8)13/h2,4-5,10H,3,6-7,14H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine?
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 65092620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).