N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 63062146

IUPACN-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1ccc(CNC(C)(C)C)c(OCCC)c1
InChIInChI=1S/C17H29NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyVFHVTJMORAXCFK-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds8

About N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63062146) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63062146
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1ccc(CNC(C)(C)C)c(OCCC)c1
InChIInChI=1S/C17H29NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyVFHVTJMORAXCFK-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63501385
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine (CID 63062146) is N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine is CCCOc1ccc(CNC(C)(C)C)c(OCCC)c1.
What is the InChIKey of N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is VFHVTJMORAXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-19-15-9-8-14(13-18-17(3,4)5)16(12-15)20-11-7-2/h8-9,12,18H,6-7,10-11,13H2,1-5H3.
What are the key properties of N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63062146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).