N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine

C15H25NO — CID 103464764

IUPACN-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(COC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-5-15(2,3)12-16-14(11-17-4)13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3
InChIKeyLATOXTKZWCXWCJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds7

About N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine

N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine (PubChem CID 103464764) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
PubChem CID103464764
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(COC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-5-15(2,3)12-16-14(11-17-4)13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3
InChIKeyLATOXTKZWCXWCJ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine (CID 103464764) is N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNC(COC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is LATOXTKZWCXWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(2,3)12-16-14(11-17-4)13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine?
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103464764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).