2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine

C17H29NO2 — CID 63061975

IUPAC2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1ccc(CNC(C)(C)C)c(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-10-19-15-9-8-14(12-18-17(4,5)6)16(11-15)20-13(2)3/h8-9,11,13,18H,7,10,12H2,1-6H3
InChIKeyWPXHOCJBQVXCMK-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds7

About 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine

2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine (PubChem CID 63061975) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
PubChem CID63061975
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1ccc(CNC(C)(C)C)c(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-10-19-15-9-8-14(12-18-17(4,5)6)16(11-15)20-13(2)3/h8-9,11,13,18H,7,10,12H2,1-6H3
InChIKeyWPXHOCJBQVXCMK-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63501385
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
CID 62484954
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine (CID 63061975) is 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine is CCCOc1ccc(CNC(C)(C)C)c(OC(C)C)c1.
What is the InChIKey of 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine?
The InChIKey is WPXHOCJBQVXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-10-19-15-9-8-14(12-18-17(4,5)6)16(11-15)20-13(2)3/h8-9,11,13,18H,7,10,12H2,1-6H3.
What are the key properties of 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine?
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63061975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).