1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine

C15H25NO — CID 55041467

IUPAC1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CCC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)5-7-14(16)10-13-9-12(3)6-8-15(13)17-4/h6,8-9,11,14H,5,7,10,16H2,1-4H3
InChIKeyVRRZVUCKYHCBCE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine

1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine (PubChem CID 55041467) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
PubChem CID55041467
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CCC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)5-7-14(16)10-13-9-12(3)6-8-15(13)17-4/h6,8-9,11,14H,5,7,10,16H2,1-4H3
InChIKeyVRRZVUCKYHCBCE-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
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CID 62899800
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CID 65136479
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
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CID 103559132

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine (CID 55041467) is 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine is COc1ccc(C)cc1CC(N)CCC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine?
The InChIKey is VRRZVUCKYHCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)5-7-14(16)10-13-9-12(3)6-8-15(13)17-4/h6,8-9,11,14H,5,7,10,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine?
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine is sourced from PubChem (CID 55041467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).