2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine

C17H29NO — CID 94978960

IUPAC2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C17H29NO/c1-12-9-15(19-8)14(16(2,3)4)10-13(12)17(5,6)11-18-7/h9-10,18H,11H2,1-8H3
InChIKeyKCSKYTUGWQQDNB-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.80
Rot. Bonds4

About 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine

2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 94978960) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
PubChem CID94978960
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C17H29NO/c1-12-9-15(19-8)14(16(2,3)4)10-13(12)17(5,6)11-18-7/h9-10,18H,11H2,1-8H3
InChIKeyKCSKYTUGWQQDNB-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
CID 115168800
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519809
2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519808
3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
CID 79829708

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine (CID 94978960) is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is KCSKYTUGWQQDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-9-15(19-8)14(16(2,3)4)10-13(12)17(5,6)11-18-7/h9-10,18H,11H2,1-8H3.
What are the key properties of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 94978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).