N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine

C20H28N2O — CID 67641775

IUPACN-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
SMILESCOc1ccccc1CNCC(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-20(2,3)22-18(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-19(17)23-4/h5-13,18,21-22H,14-15H2,1-4H3
InChIKeyGDAFTXVOFQLYJT-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.91
Rot. Bonds7

About N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine

N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 67641775) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
PubChem CID67641775
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
SMILESCOc1ccccc1CNCC(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-20(2,3)22-18(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-19(17)23-4/h5-13,18,21-22H,14-15H2,1-4H3
InChIKeyGDAFTXVOFQLYJT-UHFFFAOYSA-N
XLogP3.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 67729251
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634429
N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 67643101
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine (CID 67641775) is N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine is COc1ccccc1CNCC(NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is GDAFTXVOFQLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-20(2,3)22-18(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-19(17)23-4/h5-13,18,21-22H,14-15H2,1-4H3.
What are the key properties of N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine?
N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 67641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).