1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine

C16H27NO — CID 43482360

IUPAC1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(CCOC)cc1
InChIInChI=1S/C16H27NO/c1-13(2)5-10-16(17-3)15-8-6-14(7-9-15)11-12-18-4/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyVEGQERTZSUSCEX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds8

About 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine

1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine (PubChem CID 43482360) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
PubChem CID43482360
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(CCOC)cc1
InChIInChI=1S/C16H27NO/c1-13(2)5-10-16(17-3)15-8-6-14(7-9-15)11-12-18-4/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyVEGQERTZSUSCEX-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
CID 65450078
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
2,2,3,3,3-pentafluoro-1-[4-(2-methoxyethyl)phenyl]-N-methylpropan-1-amine
CID 43482337
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine (CID 43482360) is 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccc(CCOC)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine?
The InChIKey is VEGQERTZSUSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)5-10-16(17-3)15-8-6-14(7-9-15)11-12-18-4/h6-9,13,16-17H,5,10-12H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine?
1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 43482360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).