2-(4-propan-2-yloxyphenyl)propane-1,2-diamine

C12H20N2O — CID 116855579

IUPAC2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
SMILESCC(C)Oc1ccc(C(C)(N)CN)cc1
InChIInChI=1S/C12H20N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,8,13-14H2,1-3H3
InChIKeyPEVZVYPUQHIZAZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine

2-(4-propan-2-yloxyphenyl)propane-1,2-diamine (PubChem CID 116855579) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
PubChem CID116855579
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
SMILESCC(C)Oc1ccc(C(C)(N)CN)cc1
InChIInChI=1S/C12H20N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,8,13-14H2,1-3H3
InChIKeyPEVZVYPUQHIZAZ-UHFFFAOYSA-N
XLogP1.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62797468
2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
CID 16794106
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
CID 64715385
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine (CID 116855579) is 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine is CC(C)Oc1ccc(C(C)(N)CN)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The InChIKey is PEVZVYPUQHIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,8,13-14H2,1-3H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 116855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).