3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine

C17H29NO — CID 83936964

IUPAC3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine
SMILESCc1cc(OCC(C)C)ccc1C(C)C(C)CCN
InChIInChI=1S/C17H29NO/c1-12(2)11-19-16-6-7-17(14(4)10-16)15(5)13(3)8-9-18/h6-7,10,12-13,15H,8-9,11,18H2,1-5H3
InChIKeyZGZLNVQZHQUFMI-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.12
Rot. Bonds7

About 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine

3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine (PubChem CID 83936964) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine
PubChem CID83936964
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine
SMILESCc1cc(OCC(C)C)ccc1C(C)C(C)CCN
InChIInChI=1S/C17H29NO/c1-12(2)11-19-16-6-7-17(14(4)10-16)15(5)13(3)8-9-18/h6-7,10,12-13,15H,8-9,11,18H2,1-5H3
InChIKeyZGZLNVQZHQUFMI-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83936988
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
2-[2-methyl-4-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83937075
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine?
The IUPAC name of 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine (CID 83936964) is 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine.
What is the SMILES notation for 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine?
The canonical SMILES for 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine is Cc1cc(OCC(C)C)ccc1C(C)C(C)CCN.
What is the InChIKey of 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine?
The InChIKey is ZGZLNVQZHQUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)11-19-16-6-7-17(14(4)10-16)15(5)13(3)8-9-18/h6-7,10,12-13,15H,8-9,11,18H2,1-5H3.
What are the key properties of 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine?
3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine is sourced from PubChem (CID 83936964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).