1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C17H29NO — CID 116758294

IUPAC1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-7-9-18-16(17(5,8-2)19-6)15-11-13(3)10-14(4)12-15/h10-12,16,18H,7-9H2,1-6H3
InChIKeyNFMYGKJNSIFKSY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116758294) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116758294
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-7-9-18-16(17(5,8-2)19-6)15-11-13(3)10-14(4)12-15/h10-12,16,18H,7-9H2,1-6H3
InChIKeyNFMYGKJNSIFKSY-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758237
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
[1-(3,5-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275534
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116761495
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 116758294) is 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(C)cc(C)c1)C(C)(CC)OC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is NFMYGKJNSIFKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-9-18-16(17(5,8-2)19-6)15-11-13(3)10-14(4)12-15/h10-12,16,18H,7-9H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116758294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).