2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C16H27NO2 — CID 115493375

IUPAC2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCCCc1ccc(OC(C)CNCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-15-7-9-16(10-8-15)19-14(2)13-17-11-12-18-3/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyBMOPGZXLXZMQNW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine

2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 115493375) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID115493375
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCCCc1ccc(OC(C)CNCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-15-7-9-16(10-8-15)19-14(2)13-17-11-12-18-3/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyBMOPGZXLXZMQNW-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 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 ≤ 53.03
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

N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
CID 115493408
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 115493375) is 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine is CCCCc1ccc(OC(C)CNCCOC)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is BMOPGZXLXZMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-15-7-9-16(10-8-15)19-14(2)13-17-11-12-18-3/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 115493375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).