1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine

C16H28N2O — CID 116934464

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)(C)CCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)13-10-12(6-7-14(13)19-5)15(18)16(3,4)8-9-17/h6-7,10-11,15H,8-9,17-18H2,1-5H3
InChIKeyQCCTVHFFDPZIMS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine

1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 116934464) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID116934464
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(C(N)C(C)(C)CCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-11(2)13-10-12(6-7-14(13)19-5)15(18)16(3,4)8-9-17/h6-7,10-11,15H,8-9,17-18H2,1-5H3
InChIKeyQCCTVHFFDPZIMS-UHFFFAOYSA-N
XLogP3.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934449
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853493
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine (CID 116934464) is 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine is COc1ccc(C(N)C(C)(C)CCN)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is QCCTVHFFDPZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)13-10-12(6-7-14(13)19-5)15(18)16(3,4)8-9-17/h6-7,10-11,15H,8-9,17-18H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine?
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116934464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).