1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine

C16H27NO2 — CID 55233645

IUPAC1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1ccc(C)cc1)C(N)CC
InChIInChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16(15(17)5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12,17H2,1-3H3
InChIKeyNAQWPZDUMWRAEJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds9

About 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine

1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine (PubChem CID 55233645) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
PubChem CID55233645
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1ccc(C)cc1)C(N)CC
InChIInChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16(15(17)5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12,17H2,1-3H3
InChIKeyNAQWPZDUMWRAEJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(4-chlorophenyl)-1-[3-(2-methoxyethoxy)propoxy]butan-2-amine
CID 103401321
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
CID 82803891
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine (CID 55233645) is 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine is CCCOCCOC(c1ccc(C)cc1)C(N)CC.
What is the InChIKey of 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine?
The InChIKey is NAQWPZDUMWRAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-10-18-11-12-19-16(15(17)5-2)14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12,17H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine?
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine is sourced from PubChem (CID 55233645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).