1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine

C16H27NO2 — CID 170890476

IUPAC1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
SMILESCCCOc1ccc(COCC)cc1CC(N)CC
InChIInChI=1S/C16H27NO2/c1-4-9-19-16-8-7-13(12-18-6-3)10-14(16)11-15(17)5-2/h7-8,10,15H,4-6,9,11-12,17H2,1-3H3
InChIKeyZOIUNSXUWKCVGC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds9

About 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine

1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine (PubChem CID 170890476) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
PubChem CID170890476
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
SMILESCCCOc1ccc(COCC)cc1CC(N)CC
InChIInChI=1S/C16H27NO2/c1-4-9-19-16-8-7-13(12-18-6-3)10-14(16)11-15(17)5-2/h7-8,10,15H,4-6,9,11-12,17H2,1-3H3
InChIKeyZOIUNSXUWKCVGC-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine?
The IUPAC name of 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine (CID 170890476) is 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine is CCCOc1ccc(COCC)cc1CC(N)CC.
What is the InChIKey of 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine?
The InChIKey is ZOIUNSXUWKCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-9-19-16-8-7-13(12-18-6-3)10-14(16)11-15(17)5-2/h7-8,10,15H,4-6,9,11-12,17H2,1-3H3.
What are the key properties of 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine?
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine is sourced from PubChem (CID 170890476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).