1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine

C16H27NO2 — CID 82353726

IUPAC1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
SMILESCCC(N)COCCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-4-15(17)12-18-9-6-10-19-16-8-5-7-14(11-16)13(2)3/h5,7-8,11,13,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyNTQJMVFROGTOMM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.33
Rot. Bonds9

About 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine

1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine (PubChem CID 82353726) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
PubChem CID82353726
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
SMILESCCC(N)COCCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-4-15(17)12-18-9-6-10-19-16-8-5-7-14(11-16)13(2)3/h5,7-8,11,13,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyNTQJMVFROGTOMM-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
CID 82353774
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353725
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine?
The IUPAC name of 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine (CID 82353726) is 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine.
What is the SMILES notation for 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine?
The canonical SMILES for 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine is CCC(N)COCCCOc1cccc(C(C)C)c1.
What is the InChIKey of 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine?
The InChIKey is NTQJMVFROGTOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-15(17)12-18-9-6-10-19-16-8-5-7-14(11-16)13(2)3/h5,7-8,11,13,15H,4,6,9-10,12,17H2,1-3H3.
What are the key properties of 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine?
1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine is sourced from PubChem (CID 82353726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).