1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine

C16H27NO — CID 83927771

IUPAC1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C16H27NO/c1-5-7-15(17)9-6-8-14-10-13(3)16(18-4)11-12(14)2/h10-11,15H,5-9,17H2,1-4H3
InChIKeyFDTUQJBDIDDPKI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.76
Rot. Bonds7

About 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine

1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine (PubChem CID 83927771) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
PubChem CID83927771
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C16H27NO/c1-5-7-15(17)9-6-8-14-10-13(3)16(18-4)11-12(14)2/h10-11,15H,5-9,17H2,1-4H3
InChIKeyFDTUQJBDIDDPKI-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
1-hept-3-ynyl-4-methoxy-2,5-dimethylbenzene
CID 83927830
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine (CID 83927771) is 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine is CCCC(N)CCCc1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine?
The InChIKey is FDTUQJBDIDDPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-15(17)9-6-8-14-10-13(3)16(18-4)11-12(14)2/h10-11,15H,5-9,17H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine?
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine is sourced from PubChem (CID 83927771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).