1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine

C14H24N2O2 — CID 116934449

IUPAC1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)(C)CCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-14(2,7-8-15)13(16)10-5-6-11(17-3)12(9-10)18-4/h5-6,9,13H,7-8,15-16H2,1-4H3
InChIKeyBUMVHRVBWTYQHX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.08
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine

1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 116934449) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID116934449
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)(C)CCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-14(2,7-8-15)13(16)10-5-6-11(17-3)12(9-10)18-4/h5-6,9,13H,7-8,15-16H2,1-4H3
InChIKeyBUMVHRVBWTYQHX-UHFFFAOYSA-N
XLogP2.08
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
CID 116940265
1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 24688900
(3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248300
(3R)-3-amino-3-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241582
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
[4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171250065
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine (CID 116934449) is 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine is COc1ccc(C(N)C(C)(C)CCN)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is BUMVHRVBWTYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,7-8-15)13(16)10-5-6-11(17-3)12(9-10)18-4/h5-6,9,13H,7-8,15-16H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine?
1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116934449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).