2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine

C16H27NO2 — CID 105349646

IUPAC2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
SMILESCCCCOCCOCc1ccc(C(C)CN)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-9-18-10-11-19-13-15-5-7-16(8-6-15)14(2)12-17/h5-8,14H,3-4,9-13,17H2,1-2H3
InChIKeyPWEWPDUWNSVXFR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.08
Rot. Bonds10

About 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine

2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine (PubChem CID 105349646) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
PubChem CID105349646
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
SMILESCCCCOCCOCc1ccc(C(C)CN)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-9-18-10-11-19-13-15-5-7-16(8-6-15)14(2)12-17/h5-8,14H,3-4,9-13,17H2,1-2H3
InChIKeyPWEWPDUWNSVXFR-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylpentoxymethyl)phenyl]propan-1-amine
CID 105349727
2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
CID 105349042
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 118325862
2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 118325882
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
CID 118325776
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
butoxymethylbenzene;phenylmethanamine
CID 142079106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine (CID 105349646) is 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine is CCCCOCCOCc1ccc(C(C)CN)cc1.
What is the InChIKey of 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine?
The InChIKey is PWEWPDUWNSVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-9-18-10-11-19-13-15-5-7-16(8-6-15)14(2)12-17/h5-8,14H,3-4,9-13,17H2,1-2H3.
What are the key properties of 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine?
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105349646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).