1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C19H22Br2N2O — CID 2802127

IUPAC1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3
InChIKeyVBMYXYXSKXYBKK-UHFFFAOYSA-N
MW454.21 g/mol
LogP5.07
Rot. Bonds4

About 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2802127) has the molecular formula C19H22Br2N2O and a molecular weight of 454.21 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2802127
Molecular FormulaC19H22Br2N2O
Molecular Weight454.21 g/mol
Exact Mass452.01
IUPAC Name1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3
InChIKeyVBMYXYXSKXYBKK-UHFFFAOYSA-N
XLogP5.07
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2802127) is 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is CC(C)(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is VBMYXYXSKXYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 454.21 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).