1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine

C19H25NO — CID 63942716

IUPAC1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-14-11-16(19(2,3)4)9-10-18(14)21-17-8-6-7-15(12-17)13-20-5/h6-12,20H,13H2,1-5H3
InChIKeyYIAACSWZJKDQDS-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.80
Rot. Bonds4

About 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine

1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 63942716) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID63942716
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-14-11-16(19(2,3)4)9-10-18(14)21-17-8-6-7-15(12-17)13-20-5/h6-12,20H,13H2,1-5H3
InChIKeyYIAACSWZJKDQDS-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62323119
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine (CID 63942716) is 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2ccc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is YIAACSWZJKDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-11-16(19(2,3)4)9-10-18(14)21-17-8-6-7-15(12-17)13-20-5/h6-12,20H,13H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine?
1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63942716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).