[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine

C15H25NO3 — CID 61483340

IUPAC[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
SMILESCCCCOCCOc1ccc(CN)cc1OCC
InChIInChI=1S/C15H25NO3/c1-3-5-8-17-9-10-19-14-7-6-13(12-16)11-15(14)18-4-2/h6-7,11H,3-5,8-10,12,16H2,1-2H3
InChIKeyOMYZHZCRZSFZFQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.74
Rot. Bonds10

About [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine

[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine (PubChem CID 61483340) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
PubChem CID61483340
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
SMILESCCCCOCCOc1ccc(CN)cc1OCC
InChIInChI=1S/C15H25NO3/c1-3-5-8-17-9-10-19-14-7-6-13(12-16)11-15(14)18-4-2/h6-7,11H,3-5,8-10,12,16H2,1-2H3
InChIKeyOMYZHZCRZSFZFQ-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
1-(4-butoxy-3-ethoxyphenyl)butan-2-one
CID 82160747
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine?
The IUPAC name of [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine (CID 61483340) is [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine?
The canonical SMILES for [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine is CCCCOCCOc1ccc(CN)cc1OCC.
What is the InChIKey of [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine?
The InChIKey is OMYZHZCRZSFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-5-8-17-9-10-19-14-7-6-13(12-16)11-15(14)18-4-2/h6-7,11H,3-5,8-10,12,16H2,1-2H3.
What are the key properties of [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine?
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 61483340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).