4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine

C17H27NO — CID 142342723

IUPAC4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine
SMILESCC1(C)C(c2ccc(OCCCCN)cc2)C1(C)C
InChIInChI=1S/C17H27NO/c1-16(2)15(17(16,3)4)13-7-9-14(10-8-13)19-12-6-5-11-18/h7-10,15H,5-6,11-12,18H2,1-4H3
InChIKeyJIZBUERBXTZINQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds6

About 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine

4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine (PubChem CID 142342723) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine
PubChem CID142342723
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine
SMILESCC1(C)C(c2ccc(OCCCCN)cc2)C1(C)C
InChIInChI=1S/C17H27NO/c1-16(2)15(17(16,3)4)13-7-9-14(10-8-13)19-12-6-5-11-18/h7-10,15H,5-6,11-12,18H2,1-4H3
InChIKeyJIZBUERBXTZINQ-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-1-amine
CID 58473538
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine?
The IUPAC name of 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine (CID 142342723) is 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine.
What is the SMILES notation for 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine?
The canonical SMILES for 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine is CC1(C)C(c2ccc(OCCCCN)cc2)C1(C)C.
What is the InChIKey of 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine?
The InChIKey is JIZBUERBXTZINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2)15(17(16,3)4)13-7-9-14(10-8-13)19-12-6-5-11-18/h7-10,15H,5-6,11-12,18H2,1-4H3.
What are the key properties of 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine?
4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,3,3-tetramethylcyclopropyl)phenoxy]butan-1-amine is sourced from PubChem (CID 142342723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).