9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine

C18H16N2O — CID 43464151

IUPAC9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3[nH]c4ccccc4c3c2)o1
InChIInChI=1S/C18H16N2O/c1-11-6-9-17(21-11)18(19)12-7-8-16-14(10-12)13-4-2-3-5-15(13)20-16/h2-10,18,20H,19H2,1H3
InChIKeyKBHVGYUCXCTUEY-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.27
Rot. Bonds2

About 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine

9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine (PubChem CID 43464151) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine
PubChem CID43464151
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3[nH]c4ccccc4c3c2)o1
InChIInChI=1S/C18H16N2O/c1-11-6-9-17(21-11)18(19)12-7-8-16-14(10-12)13-4-2-3-5-15(13)20-16/h2-10,18,20H,19H2,1H3
InChIKeyKBHVGYUCXCTUEY-UHFFFAOYSA-N
XLogP4.27
TPSA54.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazol-3-yl-(5-methylfuran-2-yl)methanol
CID 61089235
9H-carbazol-3-yl-(2-methylfuran-3-yl)methanamine
CID 43464160
3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole
CID 114822506
1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
CID 43096739
9H-carbazol-3-yl(cyclopropyl)methanamine
CID 43197524
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
(5-bromofuran-2-yl)-(9H-carbazol-3-yl)methanol
CID 61088854
2,2-bis(9H-carbazol-3-yl)acetamide
CID 171509526
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881
3-(1-chloro-2,2-difluoroethyl)-9H-carbazole
CID 103514419

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine (CID 43464151) is 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)c2ccc3[nH]c4ccccc4c3c2)o1.
What is the InChIKey of 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine?
The InChIKey is KBHVGYUCXCTUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-6-9-17(21-11)18(19)12-7-8-16-14(10-12)13-4-2-3-5-15(13)20-16/h2-10,18,20H,19H2,1H3.
What are the key properties of 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine?
9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine has a molecular weight of 276.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43464151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).