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

C16H27NO — CID 43489419

IUPAC1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyGNTNFYNMTBXVPJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

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

1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 43489419) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID43489419
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyGNTNFYNMTBXVPJ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine (CID 43489419) is 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is GNTNFYNMTBXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-16(12-7-13(3)4)14-8-10-15(11-9-14)18-6-2/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine?
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 43489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).