2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride

C17H18ClNO — CID 170891747

IUPAC2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17NO.ClH/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17;/h1-9,14,19H,10-11,18H2;1H
InChIKeyAXMBAYPEBUCDJU-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride

2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride (PubChem CID 170891747) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
PubChem CID170891747
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17NO.ClH/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17;/h1-9,14,19H,10-11,18H2;1H
InChIKeyAXMBAYPEBUCDJU-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.28
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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Related Compounds

1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
1-anthracen-9-ylpropan-2-ol
CID 19889136
(2S)-2-amino-3-anthracen-9-ylpropanal
CID 126702373
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
CID 170893258
2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 170892703
2-amino-2-phenanthren-9-ylethanol
CID 77130155
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride (CID 170891747) is 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride is Cl.NC(CO)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride?
The InChIKey is AXMBAYPEBUCDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c18-14(11-19)10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17;/h1-9,14,19H,10-11,18H2;1H.
What are the key properties of 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride?
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 170891747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).