1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

C19H33NO — CID 116721324

IUPAC1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OCC)C(C)C
InChIInChI=1S/C19H33NO/c1-8-20-17(18(14(3)4)21-9-2)15-10-12-16(13-11-15)19(5,6)7/h10-14,17-18,20H,8-9H2,1-7H3
InChIKeySECLRGMLERAXFZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.70
Rot. Bonds7

About 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (PubChem CID 116721324) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
PubChem CID116721324
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OCC)C(C)C
InChIInChI=1S/C19H33NO/c1-8-20-17(18(14(3)4)21-9-2)15-10-12-16(13-11-15)19(5,6)7/h10-14,17-18,20H,8-9H2,1-7H3
InChIKeySECLRGMLERAXFZ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
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
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
CID 63473474
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (CID 116721324) is 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is CCNC(c1ccc(C(C)(C)C)cc1)C(OCC)C(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The InChIKey is SECLRGMLERAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-20-17(18(14(3)4)21-9-2)15-10-12-16(13-11-15)19(5,6)7/h10-14,17-18,20H,8-9H2,1-7H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.70, 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)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 116721324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).