1-(4-ethoxyphenyl)-N-methylpentan-1-amine

C14H23NO — CID 43481859

IUPAC1-(4-ethoxyphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h8-11,14-15H,4-7H2,1-3H3
InChIKeyKYBHLJDONMYDFT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-methylpentan-1-amine

1-(4-ethoxyphenyl)-N-methylpentan-1-amine (PubChem CID 43481859) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methylpentan-1-amine
PubChem CID43481859
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-ethoxyphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h8-11,14-15H,4-7H2,1-3H3
InChIKeyKYBHLJDONMYDFT-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methylpentan-1-amine (CID 43481859) is 1-(4-ethoxyphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methylpentan-1-amine?
The InChIKey is KYBHLJDONMYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methylpentan-1-amine?
1-(4-ethoxyphenyl)-N-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 43481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).