1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine

C16H27NO — CID 116720122

IUPAC1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)16(18-6)15(17-5)10-14-8-7-12(3)13(4)9-14/h7-9,11,15-17H,10H2,1-6H3
InChIKeyRKHWYTGERDTDAW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.10
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine

1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 116720122) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
PubChem CID116720122
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)16(18-6)15(17-5)10-14-8-7-12(3)13(4)9-14/h7-9,11,15-17H,10H2,1-6H3
InChIKeyRKHWYTGERDTDAW-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
CID 116719832
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540465
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
2-[(3,4-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931638
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine (CID 116720122) is 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1ccc(C)c(C)c1)C(OC)C(C)C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is RKHWYTGERDTDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)16(18-6)15(17-5)10-14-8-7-12(3)13(4)9-14/h7-9,11,15-17H,10H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).