4-(2-methoxy-5-methylphenyl)heptan-4-amine

C15H25NO — CID 54886794

IUPAC4-(2-methoxy-5-methylphenyl)heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-9-15(16,10-6-2)13-11-12(3)7-8-14(13)17-4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeySNPJWJWBWQZJTN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About 4-(2-methoxy-5-methylphenyl)heptan-4-amine

4-(2-methoxy-5-methylphenyl)heptan-4-amine (PubChem CID 54886794) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)heptan-4-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)heptan-4-amine
PubChem CID54886794
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(2-methoxy-5-methylphenyl)heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-9-15(16,10-6-2)13-11-12(3)7-8-14(13)17-4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeySNPJWJWBWQZJTN-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)heptan-4-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)heptan-4-amine (CID 54886794) is 4-(2-methoxy-5-methylphenyl)heptan-4-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)heptan-4-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)heptan-4-amine is CCCC(N)(CCC)c1cc(C)ccc1OC.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)heptan-4-amine?
The InChIKey is SNPJWJWBWQZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-15(16,10-6-2)13-11-12(3)7-8-14(13)17-4/h7-8,11H,5-6,9-10,16H2,1-4H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)heptan-4-amine?
4-(2-methoxy-5-methylphenyl)heptan-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 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)heptan-4-amine is sourced from PubChem (CID 54886794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).