1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine

C19H25NO — CID 43106889

IUPAC1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-11-17(12-6-14)21-13-18(20)15-7-9-16(10-8-15)19(2,3)4/h5-12,18H,13,20H2,1-4H3
InChIKeyUDDNNUJQFJLLPK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine

1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine (PubChem CID 43106889) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
PubChem CID43106889
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-11-17(12-6-14)21-13-18(20)15-7-9-16(10-8-15)19(2,3)4/h5-12,18H,13,20H2,1-4H3
InChIKeyUDDNNUJQFJLLPK-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112500956
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine (CID 43106889) is 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine is Cc1ccc(OCC(N)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine?
The InChIKey is UDDNNUJQFJLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-11-17(12-6-14)21-13-18(20)15-7-9-16(10-8-15)19(2,3)4/h5-12,18H,13,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine?
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 4 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-(4-methylphenoxy)ethanamine is sourced from PubChem (CID 43106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).