1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C17H29NO — CID 116758237

IUPAC1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-6-13-18-16(17(4,8-3)19-5)15-11-9-14(7-2)10-12-15/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyQRDWCPWBNMDPJE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds8

About 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116758237) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116758237
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-6-13-18-16(17(4,8-3)19-5)15-11-9-14(7-2)10-12-15/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyQRDWCPWBNMDPJE-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 116727223
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 116758237) is 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(CC)cc1)C(C)(CC)OC.
What is the InChIKey of 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is QRDWCPWBNMDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-13-18-16(17(4,8-3)19-5)15-11-9-14(7-2)10-12-15/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).