1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole

C24H28N2O2 — CID 174695166

IUPAC1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole
SMILESCOc1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2CC(O)CN
InChIInChI=1S/C17H20N2O.C7H8O/c1-11-3-5-16-14(7-11)15-8-12(2)4-6-17(15)19(16)10-13(20)9-18;1-8-7-5-3-2-4-6-7/h3-8,13,20H,9-10,18H2,1-2H3;2-6H,1H3
InChIKeyAXMGFMNSZOMCDE-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.43
Rot. Bonds4

About 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole

1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole (PubChem CID 174695166) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole.

Molecular Properties

Compound Name1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole
PubChem CID174695166
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole
SMILESCOc1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2CC(O)CN
InChIInChI=1S/C17H20N2O.C7H8O/c1-11-3-5-16-14(7-11)15-8-12(2)4-6-17(15)19(16)10-13(20)9-18;1-8-7-5-3-2-4-6-7/h3-8,13,20H,9-10,18H2,1-2H3;2-6H,1H3
InChIKeyAXMGFMNSZOMCDE-UHFFFAOYSA-N
XLogP4.43
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole?
The IUPAC name of 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole (CID 174695166) is 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole.
What is the SMILES notation for 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole?
The canonical SMILES for 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole is COc1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2CC(O)CN.
What is the InChIKey of 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole?
The InChIKey is AXMGFMNSZOMCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C7H8O/c1-11-3-5-16-14(7-11)15-8-12(2)4-6-17(15)19(16)10-13(20)9-18;1-8-7-5-3-2-4-6-7/h3-8,13,20H,9-10,18H2,1-2H3;2-6H,1H3.
What are the key properties of 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole?
1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole has a molecular weight of 376.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole is sourced from PubChem (CID 174695166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).