3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine

C15H25NO — CID 115713787

IUPAC3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
SMILESCOC(C)C(C)NC(C)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-11-8-6-7-9-15(11)10-12(2)16-13(3)14(4)17-5/h6-9,12-14,16H,10H2,1-5H3
InChIKeyVTYQNIDSQUNRKQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds6

About 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine

3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine (PubChem CID 115713787) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
PubChem CID115713787
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
SMILESCOC(C)C(C)NC(C)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-11-8-6-7-9-15(11)10-12(2)16-13(3)14(4)17-5/h6-9,12-14,16H,10H2,1-5H3
InChIKeyVTYQNIDSQUNRKQ-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 63449736
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine (CID 115713787) is 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine is COC(C)C(C)NC(C)Cc1ccccc1C.
What is the InChIKey of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine?
The InChIKey is VTYQNIDSQUNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-8-6-7-9-15(11)10-12(2)16-13(3)14(4)17-5/h6-9,12-14,16H,10H2,1-5H3.
What are the key properties of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine?
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 115713787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).