1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine

C19H26N2O — CID 170894728

IUPAC1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(C(N)CN)c1
InChIInChI=1S/C19H26N2O/c1-19(2,3)15-9-10-18(16(11-15)17(21)12-20)22-13-14-7-5-4-6-8-14/h4-11,17H,12-13,20-21H2,1-3H3
InChIKeyUXASQWGXWSDDIR-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.52
Rot. Bonds5

About 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine

1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 170894728) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID170894728
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(C(N)CN)c1
InChIInChI=1S/C19H26N2O/c1-19(2,3)15-9-10-18(16(11-15)17(21)12-20)22-13-14-7-5-4-6-8-14/h4-11,17H,12-13,20-21H2,1-3H3
InChIKeyUXASQWGXWSDDIR-UHFFFAOYSA-N
XLogP3.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
3,5-bis(1,2-diaminoethyl)-4-phenylmethoxybenzoic acid
CID 170894828
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine (CID 170894728) is 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine is CC(C)(C)c1ccc(OCc2ccccc2)c(C(N)CN)c1.
What is the InChIKey of 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is UXASQWGXWSDDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(2,3)15-9-10-18(16(11-15)17(21)12-20)22-13-14-7-5-4-6-8-14/h4-11,17H,12-13,20-21H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine?
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).