1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine

C17H29NO2 — CID 105035211

IUPAC1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-11-16(18-2)15-10-8-9-12-17(15)20-14-13-19-3/h8-10,12,16,18H,4-7,11,13-14H2,1-3H3
InChIKeyLSLVCXPUIFSYRD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine (PubChem CID 105035211) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
PubChem CID105035211
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-11-16(18-2)15-10-8-9-12-17(15)20-14-13-19-3/h8-10,12,16,18H,4-7,11,13-14H2,1-3H3
InChIKeyLSLVCXPUIFSYRD-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-propoxyphenyl)octylhydrazine
CID 105334374
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 104660220
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine (CID 105035211) is 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine is CCCCCCC(NC)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine?
The InChIKey is LSLVCXPUIFSYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-6-7-11-16(18-2)15-10-8-9-12-17(15)20-14-13-19-3/h8-10,12,16,18H,4-7,11,13-14H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine is sourced from PubChem (CID 105035211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).