1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine

C16H27NO3 — CID 65176070

IUPAC1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OCCCOCC)c1
InChIInChI=1S/C16H27NO3/c1-4-9-19-15-8-7-14(13-17-3)16(12-15)20-11-6-10-18-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3
InChIKeyYHTFUEMSHKDGEH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.00
Rot. Bonds11

About 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine

1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine (PubChem CID 65176070) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
PubChem CID65176070
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OCCCOCC)c1
InChIInChI=1S/C16H27NO3/c1-4-9-19-15-8-7-14(13-17-3)16(12-15)20-11-6-10-18-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3
InChIKeyYHTFUEMSHKDGEH-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine (CID 65176070) is 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine is CCCOc1ccc(CNC)c(OCCCOCC)c1.
What is the InChIKey of 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine?
The InChIKey is YHTFUEMSHKDGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-9-19-15-8-7-14(13-17-3)16(12-15)20-11-6-10-18-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine?
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 65176070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).