2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine

C17H29NO — CID 105349335

IUPAC2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)COCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)12-19-13-16-8-6-15(7-9-16)10-11-18-17(3,4)5/h6-9,14,18H,10-13H2,1-5H3
InChIKeyRYHKWZFPUQITGF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.79
Rot. Bonds7

About 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 105349335) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID105349335
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)COCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)12-19-13-16-8-6-15(7-9-16)10-11-18-17(3,4)5/h6-9,14,18H,10-13H2,1-5H3
InChIKeyRYHKWZFPUQITGF-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
CID 105351341
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
4-(2-methylpropoxymethyl)phenol
CID 11159667
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
2-methyl-N-[2-[4-(oxolan-3-yloxymethyl)phenyl]ethyl]propan-2-amine
CID 105350921
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
CID 105346870
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 96676880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine (CID 105349335) is 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine is CC(C)COCc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is RYHKWZFPUQITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)12-19-13-16-8-6-15(7-9-16)10-11-18-17(3,4)5/h6-9,14,18H,10-13H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105349335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).