2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol

C19H22Cl2N2O2 — CID 5171718

IUPAC2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol
SMILESCCC(CO)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O2/c1-2-14(11-24)22-9-15(25)10-23-18-5-3-12(20)7-16(18)17-8-13(21)4-6-19(17)23/h3-8,14-15,22,24-25H,2,9-11H2,1H3
InChIKeyIASAZPVIHDOTBO-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.82
Rot. Bonds7

About 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol

2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol (PubChem CID 5171718) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol
PubChem CID5171718
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol
SMILESCCC(CO)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O2/c1-2-14(11-24)22-9-15(25)10-23-18-5-3-12(20)7-16(18)17-8-13(21)4-6-19(17)23/h3-8,14-15,22,24-25H,2,9-11H2,1H3
InChIKeyIASAZPVIHDOTBO-UHFFFAOYSA-N
XLogP3.82
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol (CID 5171718) is 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol is CCC(CO)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol?
The InChIKey is IASAZPVIHDOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-2-14(11-24)22-9-15(25)10-23-18-5-3-12(20)7-16(18)17-8-13(21)4-6-19(17)23/h3-8,14-15,22,24-25H,2,9-11H2,1H3.
What are the key properties of 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol?
2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol has a molecular weight of 381.30 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]butan-1-ol is sourced from PubChem (CID 5171718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).