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

C19H22Cl2N2O — CID 141473184

IUPAC1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-2-3-8-22-11-15(24)12-23-18-6-4-13(20)9-16(18)17-10-14(21)5-7-19(17)23/h4-7,9-10,15,22,24H,2-3,8,11-12H2,1H3
InChIKeyVOEVTROTWMBKHH-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.85
Rot. Bonds7

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

1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 141473184) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID141473184
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-2-3-8-22-11-15(24)12-23-18-6-4-13(20)9-16(18)17-10-14(21)5-7-19(17)23/h4-7,9-10,15,22,24H,2-3,8,11-12H2,1H3
InChIKeyVOEVTROTWMBKHH-UHFFFAOYSA-N
XLogP4.85
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 141473184) is 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is CCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is VOEVTROTWMBKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-2-3-8-22-11-15(24)12-23-18-6-4-13(20)9-16(18)17-10-14(21)5-7-19(17)23/h4-7,9-10,15,22,24H,2-3,8,11-12H2,1H3.
What are the key properties of 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 365.30 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 141473184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).