1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

C18H31NO — CID 105044758

IUPAC1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(C)CCOC
InChIInChI=1S/C18H31NO/c1-7-19-17(14(2)12-13-20-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyKYZOZBZEUSJGHM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.31
Rot. Bonds7

About 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044758) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID105044758
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(C)CCOC
InChIInChI=1S/C18H31NO/c1-7-19-17(14(2)12-13-20-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyKYZOZBZEUSJGHM-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 105044758) is 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is CCNC(c1ccc(C(C)(C)C)cc1)C(C)CCOC.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is KYZOZBZEUSJGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-19-17(14(2)12-13-20-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).