1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine

C18H31NO — CID 116715912

IUPAC1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)C(CC)OC
InChIInChI=1S/C18H31NO/c1-7-13-19-17(16(8-2)20-6)14-9-11-15(12-10-14)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3
InChIKeyOXICPIRADLIPOJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.45
Rot. Bonds7

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

1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine (PubChem CID 116715912) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
PubChem CID116715912
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)C(CC)OC
InChIInChI=1S/C18H31NO/c1-7-13-19-17(16(8-2)20-6)14-9-11-15(12-10-14)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3
InChIKeyOXICPIRADLIPOJ-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
CID 66259547
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine (CID 116715912) is 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine is CCCNC(c1ccc(C(C)(C)C)cc1)C(CC)OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine?
The InChIKey is OXICPIRADLIPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-13-19-17(16(8-2)20-6)14-9-11-15(12-10-14)18(3,4)5/h9-12,16-17,19H,7-8,13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine?
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.45, 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-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116715912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).