1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine

C12H20N2O — CID 116933980

IUPAC1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)CCN)cc1
InChIInChI=1S/C12H20N2O/c1-9(7-8-13)12(14)10-3-5-11(15-2)6-4-10/h3-6,9,12H,7-8,13-14H2,1-2H3
InChIKeyPWVWFOCEXSWRML-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.68
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine

1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine (PubChem CID 116933980) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
PubChem CID116933980
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)CCN)cc1
InChIInChI=1S/C12H20N2O/c1-9(7-8-13)12(14)10-3-5-11(15-2)6-4-10/h3-6,9,12H,7-8,13-14H2,1-2H3
InChIKeyPWVWFOCEXSWRML-UHFFFAOYSA-N
XLogP1.68
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
CID 115029046
1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 141467393
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine (CID 116933980) is 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine is COc1ccc(C(N)C(C)CCN)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine?
The InChIKey is PWVWFOCEXSWRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(7-8-13)12(14)10-3-5-11(15-2)6-4-10/h3-6,9,12H,7-8,13-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine?
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 116933980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).