6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine

C17H29NO — CID 103032202

IUPAC6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
SMILESCNC(CCc1cccc(C)c1)CCC(C)(C)OC
InChIInChI=1S/C17H29NO/c1-14-7-6-8-15(13-14)9-10-16(18-4)11-12-17(2,3)19-5/h6-8,13,16,18H,9-12H2,1-5H3
InChIKeyITZJWKSCLNSMBZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.72
Rot. Bonds8

About 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine

6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine (PubChem CID 103032202) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
PubChem CID103032202
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
SMILESCNC(CCc1cccc(C)c1)CCC(C)(C)OC
InChIInChI=1S/C17H29NO/c1-14-7-6-8-15(13-14)9-10-16(18-4)11-12-17(2,3)19-5/h6-8,13,16,18H,9-12H2,1-5H3
InChIKeyITZJWKSCLNSMBZ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
CID 105300120
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
5-methoxy-N,5-dimethyl-1-phenoxyhexan-2-amine
CID 103031640
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The IUPAC name of 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine (CID 103032202) is 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The canonical SMILES for 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine is CNC(CCc1cccc(C)c1)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine?
The InChIKey is ITZJWKSCLNSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14-7-6-8-15(13-14)9-10-16(18-4)11-12-17(2,3)19-5/h6-8,13,16,18H,9-12H2,1-5H3.
What are the key properties of 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine?
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine is sourced from PubChem (CID 103032202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).