2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol

C18H32N2O2 — CID 83934562

IUPAC2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCC(C)COc1ccc(C(O)C(N)CCN)cc1C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-12(2)11-22-16-7-6-13(10-14(16)18(3,4)5)17(21)15(20)8-9-19/h6-7,10,12,15,17,21H,8-9,11,19-20H2,1-5H3
InChIKeyKBDZHZBPNKECOO-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.73
Rot. Bonds7

About 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol

2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol (PubChem CID 83934562) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
PubChem CID83934562
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCC(C)COc1ccc(C(O)C(N)CCN)cc1C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-12(2)11-22-16-7-6-13(10-14(16)18(3,4)5)17(21)15(20)8-9-19/h6-7,10,12,15,17,21H,8-9,11,19-20H2,1-5H3
InChIKeyKBDZHZBPNKECOO-UHFFFAOYSA-N
XLogP2.73
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
5-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-one
CID 83934538
2-tert-butyl-4-hept-1-yn-4-yl-1-(2-methylpropoxy)benzene
CID 83934601
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
CID 83934607
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
3-tert-butyl-4-(2-methylpropoxy)benzonitrile
CID 82263936
(4-aminophenyl)-[3-tert-butyl-4-(2-methylpropoxy)phenyl]methanone
CID 82263950
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol?
The IUPAC name of 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol (CID 83934562) is 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol?
The canonical SMILES for 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol is CC(C)COc1ccc(C(O)C(N)CCN)cc1C(C)(C)C.
What is the InChIKey of 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol?
The InChIKey is KBDZHZBPNKECOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-12(2)11-22-16-7-6-13(10-14(16)18(3,4)5)17(21)15(20)8-9-19/h6-7,10,12,15,17,21H,8-9,11,19-20H2,1-5H3.
What are the key properties of 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol?
2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol has a molecular weight of 308.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol is sourced from PubChem (CID 83934562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).