1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C19H22Cl2N2O — CID 2879322

IUPAC1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCCC(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3
InChIKeyCRSBMRJNJIXPFW-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.85
Rot. Bonds6

About 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2879322) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2879322
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCCC(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3
InChIKeyCRSBMRJNJIXPFW-UHFFFAOYSA-N
XLogP4.85
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2879322) is 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is CCC(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is CRSBMRJNJIXPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 365.30 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2879322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).