1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine

C17H29NO — CID 43093766

IUPAC1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-11-19-12-16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,16H,10-12,18H2,1-5H3
InChIKeyUVPYABGVIGKVBS-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine

1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine (PubChem CID 43093766) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
PubChem CID43093766
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-11-19-12-16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,16H,10-12,18H2,1-5H3
InChIKeyUVPYABGVIGKVBS-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.05
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

2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-[2-amino-2-(4-tert-butylphenyl)ethoxy]acetamide
CID 61329935
1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275444
1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
1-(1,3-benzodioxol-5-yl)-2-(3-methylbutoxy)ethanamine
CID 43184014
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
CID 82939741
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methylbutoxy)ethanamine
CID 43183981

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine (CID 43093766) is 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine is CC(C)CCOCC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine?
The InChIKey is UVPYABGVIGKVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)10-11-19-12-16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,16H,10-12,18H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine?
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine has a molecular weight of 263.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 43093766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).