1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine

C16H27NO2 — CID 79492955

IUPAC1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OC)OC
InChIInChI=1S/C16H27NO2/c1-7-17-14(15(18-5)19-6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3
InChIKeyMLNNNCIHACLDTC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine

1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine (PubChem CID 79492955) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
PubChem CID79492955
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OC)OC
InChIInChI=1S/C16H27NO2/c1-7-17-14(15(18-5)19-6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3
InChIKeyMLNNNCIHACLDTC-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine (CID 79492955) is 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine is CCNC(c1ccc(C(C)(C)C)cc1)C(OC)OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The InChIKey is MLNNNCIHACLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-17-14(15(18-5)19-6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine?
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 79492955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).