4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C17H29NO — CID 64666050

IUPAC4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C)cc1CCC(C)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-15(4)6-8-16-10-14(3)7-9-17(16)19-5/h7,9-10,13,15,18H,6,8,11-12H2,1-5H3
InChIKeyQOFGUKSBBNEGJJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.82
Rot. Bonds8

About 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 64666050) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID64666050
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C)cc1CCC(C)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-15(4)6-8-16-10-14(3)7-9-17(16)19-5/h7,9-10,13,15,18H,6,8,11-12H2,1-5H3
InChIKeyQOFGUKSBBNEGJJ-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 64666050) is 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is COc1ccc(C)cc1CCC(C)CNCC(C)C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QOFGUKSBBNEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)11-18-12-15(4)6-8-16-10-14(3)7-9-17(16)19-5/h7,9-10,13,15,18H,6,8,11-12H2,1-5H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64666050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).