(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

C30H48N2O2 — CID 155206861

IUPAC(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)N[C@@H](c1ccccc1OC(C)(C)C)[C@@H](NC(C)(C)C)c1ccccc1OC(C)(C)C
InChIInChI=1S/C30H48N2O2/c1-27(2,3)31-25(21-17-13-15-19-23(21)33-29(7,8)9)26(32-28(4,5)6)22-18-14-16-20-24(22)34-30(10,11)12/h13-20,25-26,31-32H,1-12H3/t25-,26-/m0/s1
InChIKeyGWBMNOLTNYAYMS-UIOOFZCWSA-N
MW468.73 g/mol
LogP7.60
Rot. Bonds7

About (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (PubChem CID 155206861) has the molecular formula C30H48N2O2 and a molecular weight of 468.73 g/mol. Its IUPAC name is (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
PubChem CID155206861
Molecular FormulaC30H48N2O2
Molecular Weight468.73 g/mol
Exact Mass468.37
IUPAC Name(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)N[C@@H](c1ccccc1OC(C)(C)C)[C@@H](NC(C)(C)C)c1ccccc1OC(C)(C)C
InChIInChI=1S/C30H48N2O2/c1-27(2,3)31-25(21-17-13-15-19-23(21)33-29(7,8)9)26(32-28(4,5)6)22-18-14-16-20-24(22)34-30(10,11)12/h13-20,25-26,31-32H,1-12H3/t25-,26-/m0/s1
InChIKeyGWBMNOLTNYAYMS-UIOOFZCWSA-N
XLogP7.60
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine with MolForge

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Related Compounds

2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486900
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;titanium;dihydrochloride
CID 87977148
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite
CID 139804425
1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
CID 143952575
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-[(2-methylpropan-2-yl)oxy]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-methoxynonyl)benzene
CID 156763785
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
CID 155601617
CID 155601617
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The IUPAC name of (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (CID 155206861) is (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is CC(C)(C)N[C@@H](c1ccccc1OC(C)(C)C)[C@@H](NC(C)(C)C)c1ccccc1OC(C)(C)C.
What is the InChIKey of (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The InChIKey is GWBMNOLTNYAYMS-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H48N2O2/c1-27(2,3)31-25(21-17-13-15-19-23(21)33-29(7,8)9)26(32-28(4,5)6)22-18-14-16-20-24(22)34-30(10,11)12/h13-20,25-26,31-32H,1-12H3/t25-,26-/m0/s1.
What are the key properties of (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine has a molecular weight of 468.73 g/mol, XLogP of 7.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 155206861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).