4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine

C15H25NO — CID 117115621

IUPAC4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
SMILESCOC(C)(C)Cc1cccc(CCCCN)c1
InChIInChI=1S/C15H25NO/c1-15(2,17-3)12-14-9-6-8-13(11-14)7-4-5-10-16/h6,8-9,11H,4-5,7,10,12,16H2,1-3H3
InChIKeyKUTGVWIBXDAWCZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds7

About 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine

4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine (PubChem CID 117115621) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
PubChem CID117115621
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
SMILESCOC(C)(C)Cc1cccc(CCCCN)c1
InChIInChI=1S/C15H25NO/c1-15(2,17-3)12-14-9-6-8-13(11-14)7-4-5-10-16/h6,8-9,11H,4-5,7,10,12,16H2,1-3H3
InChIKeyKUTGVWIBXDAWCZ-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
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

[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635
3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
CID 42610459
3-[3-(2,2-dimethylhexyl)phenyl]propan-1-amine
CID 71016135
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
1-[3-(3-aminopropyl)phenyl]-2-methylhexan-2-ol
CID 42610750
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine (CID 117115621) is 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine is COC(C)(C)Cc1cccc(CCCCN)c1.
What is the InChIKey of 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is KUTGVWIBXDAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,17-3)12-14-9-6-8-13(11-14)7-4-5-10-16/h6,8-9,11H,4-5,7,10,12,16H2,1-3H3.
What are the key properties of 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine?
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 117115621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).