[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine

C15H25NO2 — CID 107655968

IUPAC[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(CN)cc1OCCOCCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)6-7-17-8-9-18-15-10-14(11-16)5-4-13(15)3/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyBYAPBKWYNOAASJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds8

About [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine

[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine (PubChem CID 107655968) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
PubChem CID107655968
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(CN)cc1OCCOCCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)6-7-17-8-9-18-15-10-14(11-16)5-4-13(15)3/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyBYAPBKWYNOAASJ-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
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

[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
CID 107655871
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
[3-[2-(2-methylpropoxy)ethoxy]-4-nitrophenyl]methanamine
CID 106450080
N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine (CID 107655968) is [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine is Cc1ccc(CN)cc1OCCOCCC(C)C.
What is the InChIKey of [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The InChIKey is BYAPBKWYNOAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)6-7-17-8-9-18-15-10-14(11-16)5-4-13(15)3/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 107655968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).