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

C11H15Cl2NO — CID 116715205

IUPAC1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-10(15-2)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11H,3,14H2,1-2H3
InChIKeyKPLONTIWMKTIHQ-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.42
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine (PubChem CID 116715205) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
PubChem CID116715205
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-10(15-2)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11H,3,14H2,1-2H3
InChIKeyKPLONTIWMKTIHQ-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116715210
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
CID 116715145
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxybutan-1-amine
CID 116715045
[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine
CID 105271084
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine (CID 116715205) is 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine is CCC(OC)C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine?
The InChIKey is KPLONTIWMKTIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-10(15-2)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11H,3,14H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine?
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116715205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).