1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

C12H20N2O — CID 77130956

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)Oc1ccc(C(N)CN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3
InChIKeyNQQYIZSQLZTLCV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (PubChem CID 77130956) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
PubChem CID77130956
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)Oc1ccc(C(N)CN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3
InChIKeyNQQYIZSQLZTLCV-UHFFFAOYSA-N
XLogP1.82
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-en-1-amine;hydrochloride
CID 171214813
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
CID 170894654
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-[(1S)-1,2-diaminoethyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171214015
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
(1S)-1-[4-(3-chloropropoxy)phenyl]ethane-1,2-diamine
CID 66517949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (CID 77130956) is 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is CC(C)(C)Oc1ccc(C(N)CN)cc1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The InChIKey is NQQYIZSQLZTLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 77130956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).