4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C17H29NO — CID 81015516

IUPAC4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(C)cc1CC(C)C(C)CNC(C)C
InChIInChI=1S/C17H29NO/c1-12(2)18-11-15(5)14(4)10-16-9-13(3)7-8-17(16)19-6/h7-9,12,14-15,18H,10-11H2,1-6H3
InChIKeyIDVLYQQJXQHKRU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.82
Rot. Bonds7

About 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81015516) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81015516
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(C)cc1CC(C)C(C)CNC(C)C
InChIInChI=1S/C17H29NO/c1-12(2)18-11-15(5)14(4)10-16-9-13(3)7-8-17(16)19-6/h7-9,12,14-15,18H,10-11H2,1-6H3
InChIKeyIDVLYQQJXQHKRU-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81015516) is 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is COc1ccc(C)cc1CC(C)C(C)CNC(C)C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is IDVLYQQJXQHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)18-11-15(5)14(4)10-16-9-13(3)7-8-17(16)19-6/h7-9,12,14-15,18H,10-11H2,1-6H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.82, 7 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)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81015516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).