1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine

C16H27NO — CID 79616230

IUPAC1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(C)OC
InChIInChI=1S/C16H27NO/c1-7-17-15(12(2)18-6)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,7H2,1-6H3
InChIKeyLMYNOOYZKFTDKH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds5

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

1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine (PubChem CID 79616230) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
PubChem CID79616230
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(C)OC
InChIInChI=1S/C16H27NO/c1-7-17-15(12(2)18-6)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,7H2,1-6H3
InChIKeyLMYNOOYZKFTDKH-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
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
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
2-methoxy-N-methyl-1-(4-propylphenyl)propan-1-amine
CID 79617048

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine (CID 79616230) is 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine is CCNC(c1ccc(C(C)(C)C)cc1)C(C)OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The InChIKey is LMYNOOYZKFTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-17-15(12(2)18-6)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,7H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine?
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 5 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-2-methoxypropan-1-amine is sourced from PubChem (CID 79616230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).