(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol

C19H21NO — CID 57328256

IUPAC(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H21NO/c1-2-16(13-21)20-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)19/h3-11,16,20-21H,2,12-13H2,1H3/t16-/m1/s1
InChIKeyKKBQLHDHLRUTGI-MRXNPFEDSA-N
MW279.38 g/mol
LogP3.85
Rot. Bonds5

About (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol

(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol (PubChem CID 57328256) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol
PubChem CID57328256
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H21NO/c1-2-16(13-21)20-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)19/h3-11,16,20-21H,2,12-13H2,1H3/t16-/m1/s1
InChIKeyKKBQLHDHLRUTGI-MRXNPFEDSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol (CID 57328256) is (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1c2ccccc2cc2ccccc12.
What is the InChIKey of (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol?
The InChIKey is KKBQLHDHLRUTGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-16(13-21)20-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)19/h3-11,16,20-21H,2,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol?
(2R)-2-(anthracen-9-ylmethylamino)butan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(anthracen-9-ylmethylamino)butan-1-ol is sourced from PubChem (CID 57328256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).