1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine

C17H29NO — CID 117413884

IUPAC1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(CC(C)(C)N)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-8-12-9-13(11-17(5,6)18)15(19-7)14(10-12)16(2,3)4/h9-10H,8,11,18H2,1-7H3
InChIKeyFIKRYGYIPDHTPF-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine

1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117413884) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117413884
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCc1cc(CC(C)(C)N)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-8-12-9-13(11-17(5,6)18)15(19-7)14(10-12)16(2,3)4/h9-10H,8,11,18H2,1-7H3
InChIKeyFIKRYGYIPDHTPF-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
CID 117330478
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
CID 21199855
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine (CID 117413884) is 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine is CCc1cc(CC(C)(C)N)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is FIKRYGYIPDHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-12-9-13(11-17(5,6)18)15(19-7)14(10-12)16(2,3)4/h9-10H,8,11,18H2,1-7H3.
What are the key properties of 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117413884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).