2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine

C16H27NO — CID 116758324

IUPAC2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1C)C(C)(CC)OC
InChIInChI=1S/C16H27NO/c1-6-12-17-15(16(4,7-2)18-5)14-11-9-8-10-13(14)3/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyJPBZDVLBMFNCTR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds7

About 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine

2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine (PubChem CID 116758324) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
PubChem CID116758324
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1C)C(C)(CC)OC
InChIInChI=1S/C16H27NO/c1-6-12-17-15(16(4,7-2)18-5)14-11-9-8-10-13(14)3/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyJPBZDVLBMFNCTR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758237
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
[2,2-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105286147

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine (CID 116758324) is 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccccc1C)C(C)(CC)OC.
What is the InChIKey of 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is JPBZDVLBMFNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-12-17-15(16(4,7-2)18-5)14-11-9-8-10-13(14)3/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine?
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116758324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).