1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine

C26H31NO — CID 54804574

IUPAC1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESCC(C)(C)c1ccc(CNCc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H31NO/c1-26(2,3)24-14-12-22(13-15-24)19-27-20-23-10-7-11-25(18-23)28-17-16-21-8-5-4-6-9-21/h4-15,18,27H,16-17,19-20H2,1-3H3
InChIKeyCPLZMAKKWFNILU-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.90
Rot. Bonds8

About 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine

1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine (PubChem CID 54804574) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
PubChem CID54804574
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESCC(C)(C)c1ccc(CNCc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H31NO/c1-26(2,3)24-14-12-22(13-15-24)19-27-20-23-10-7-11-25(18-23)28-17-16-21-8-5-4-6-9-21/h4-15,18,27H,16-17,19-20H2,1-3H3
InChIKeyCPLZMAKKWFNILU-UHFFFAOYSA-N
XLogP5.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54804575
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenoxy]acetate
CID 54144555
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
3-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylamino]propanoic acid
CID 23121480
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine (CID 54804574) is 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine is CC(C)(C)c1ccc(CNCc2cccc(OCCc3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine?
The InChIKey is CPLZMAKKWFNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-26(2,3)24-14-12-22(13-15-24)19-27-20-23-10-7-11-25(18-23)28-17-16-21-8-5-4-6-9-21/h4-15,18,27H,16-17,19-20H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine?
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine has a molecular weight of 373.54 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).