4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine

C13H21NO — CID 82255348

IUPAC4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
SMILESCOc1c(C)cc(C)cc1CCCCN
InChIInChI=1S/C13H21NO/c1-10-8-11(2)13(15-3)12(9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3
InChIKeyXXNIEVQFZIMSCY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds5

About 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine

4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine (PubChem CID 82255348) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
PubChem CID82255348
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
SMILESCOc1c(C)cc(C)cc1CCCCN
InChIInChI=1S/C13H21NO/c1-10-8-11(2)13(15-3)12(9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3
InChIKeyXXNIEVQFZIMSCY-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
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

4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
4-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]butan-1-amine
CID 117396648
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
4-(3-bromo-4-methoxy-5-methylphenyl)butan-1-amine
CID 117433058
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
1-but-3-ynyl-2-methoxy-3,5-dimethylbenzene
CID 83941962
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine (CID 82255348) is 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine is COc1c(C)cc(C)cc1CCCCN.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine?
The InChIKey is XXNIEVQFZIMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-11(2)13(15-3)12(9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine?
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 82255348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).