N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline

C19H25NO — CID 10379104

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(20-17-10-12-18(21-5)13-11-17)15-6-8-16(9-7-15)19(2,3)4/h6-14,20H,1-5H3
InChIKeyVZWWPEHBSXYULM-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.17
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline

N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline (PubChem CID 10379104) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
PubChem CID10379104
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-14(20-17-10-12-18(21-5)13-11-17)15-6-8-16(9-7-15)19(2,3)4/h6-14,20H,1-5H3
InChIKeyVZWWPEHBSXYULM-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethylsulfanyl)-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43673145
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
CID 114051592
[(4-tert-butylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190992
(1R,2R)-N,N'-bis(4-methoxyphenyl)-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 46223762
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
CID 163358815
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline (CID 10379104) is N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline is COc1ccc(NC(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline?
The InChIKey is VZWWPEHBSXYULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(20-17-10-12-18(21-5)13-11-17)15-6-8-16(9-7-15)19(2,3)4/h6-14,20H,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline?
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline has a molecular weight of 283.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline is sourced from PubChem (CID 10379104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).