(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine

C20H24N2O — CID 171250725

IUPAC(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
SMILESCCn1c2ccccc2c2cc([C@H](N)C3CCOCC3)ccc21
InChIInChI=1S/C20H24N2O/c1-2-22-18-6-4-3-5-16(18)17-13-15(7-8-19(17)22)20(21)14-9-11-23-12-10-14/h3-8,13-14,20H,2,9-12,21H2,1H3/t20-/m1/s1
InChIKeyTWQMFCBTXYKFHA-HXUWFJFHSA-N
MW308.43 g/mol
LogP4.24
Rot. Bonds3

About (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine

(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine (PubChem CID 171250725) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
PubChem CID171250725
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
SMILESCCn1c2ccccc2c2cc([C@H](N)C3CCOCC3)ccc21
InChIInChI=1S/C20H24N2O/c1-2-22-18-6-4-3-5-16(18)17-13-15(7-8-19(17)22)20(21)14-9-11-23-12-10-14/h3-8,13-14,20H,2,9-12,21H2,1H3/t20-/m1/s1
InChIKeyTWQMFCBTXYKFHA-HXUWFJFHSA-N
XLogP4.24
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53389
Avn-101
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9-[3-(3,5-Dimethyl-1-piperazinyl)propyl]carbazole
CID 5072
N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
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cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amine
CID 11406821
cis-(3S-6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amine
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US9682968, Example-5-2
CID 90468038
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CID 709293

Frequently Asked Questions

What is the IUPAC name of (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine (CID 171250725) is (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine is CCn1c2ccccc2c2cc([C@H](N)C3CCOCC3)ccc21.
What is the InChIKey of (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine?
The InChIKey is TWQMFCBTXYKFHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-22-18-6-4-3-5-16(18)17-13-15(7-8-19(17)22)20(21)14-9-11-23-12-10-14/h3-8,13-14,20H,2,9-12,21H2,1H3/t20-/m1/s1.
What are the key properties of (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine?
(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine has a molecular weight of 308.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 171250725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).