1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine

C17H29NO — CID 112513604

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
SMILESCOc1cc(C)c(CC(C)NC(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)16-10-15(9-14(6)18-12(3)4)13(5)8-17(16)19-7/h8,10-12,14,18H,9H2,1-7H3
InChIKeyAYXWBADTNLAHJK-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 112513604) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
PubChem CID112513604
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
SMILESCOc1cc(C)c(CC(C)NC(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)16-10-15(9-14(6)18-12(3)4)13(5)8-17(16)19-7/h8,10-12,14,18H,9H2,1-7H3
InChIKeyAYXWBADTNLAHJK-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine (CID 112513604) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine is COc1cc(C)c(CC(C)NC(C)C)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is AYXWBADTNLAHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)16-10-15(9-14(6)18-12(3)4)13(5)8-17(16)19-7/h8,10-12,14,18H,9H2,1-7H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 112513604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).