N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine

C15H26N2O — CID 55204171

IUPACN-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCN(C)C)c(CNC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)16-11-14-10-13(3)6-7-15(14)18-9-8-17(4)5/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyDIVPPPWXWYEURZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.43
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine

N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine (PubChem CID 55204171) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
PubChem CID55204171
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCN(C)C)c(CNC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)16-11-14-10-13(3)6-7-15(14)18-9-8-17(4)5/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyDIVPPPWXWYEURZ-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
N-[[2-(3-methoxy-3-methylbutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 103032811
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine (CID 55204171) is N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine is Cc1ccc(OCCN(C)C)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine?
The InChIKey is DIVPPPWXWYEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)16-11-14-10-13(3)6-7-15(14)18-9-8-17(4)5/h6-7,10,12,16H,8-9,11H2,1-5H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine?
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 55204171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).