10-(diethylaminomethyl)phenanthren-9-ol

C19H21NO — CID 102351140

IUPAC10-(diethylaminomethyl)phenanthren-9-ol
SMILESCCN(CC)Cc1c(O)c2ccccc2c2ccccc12
InChIInChI=1S/C19H21NO/c1-3-20(4-2)13-18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)19(18)21/h5-12,21H,3-4,13H2,1-2H3
InChIKeyKIVDZMOSRBUZGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.54
Rot. Bonds4

About 10-(diethylaminomethyl)phenanthren-9-ol

10-(diethylaminomethyl)phenanthren-9-ol (PubChem CID 102351140) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 10-(diethylaminomethyl)phenanthren-9-ol.

Molecular Properties

Compound Name10-(diethylaminomethyl)phenanthren-9-ol
PubChem CID102351140
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name10-(diethylaminomethyl)phenanthren-9-ol
SMILESCCN(CC)Cc1c(O)c2ccccc2c2ccccc12
InChIInChI=1S/C19H21NO/c1-3-20(4-2)13-18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)19(18)21/h5-12,21H,3-4,13H2,1-2H3
InChIKeyKIVDZMOSRBUZGL-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 33839
1-(1-Piperidinylmethyl)-2-naphthalenol
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1-Dimethylaminomethyl-2-naphthol
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Bialamicol
CID 10304
PM 1000
CID 3082625
1-Naphthalenol, 2-(4-morpholinylmethyl)-
CID 382950
2-Naphthalenol, 1-[[(phenylmethyl)imino]methyl]-
CID 511504
1,2,3,4-Tetrahydro-benzo[h]isoquinolin-8-ol
CID 9990355
1-(Aminomethyl)naphthalen-2-ol
CID 241200
6-Azepan-1-ylmethyl-2-(4,4-diphenyl-butyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
CID 9956291
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
CID 156612931
10-Methyl-11-hydroxyaporphine
CID 13994416

Frequently Asked Questions

What is the IUPAC name of 10-(diethylaminomethyl)phenanthren-9-ol?
The IUPAC name of 10-(diethylaminomethyl)phenanthren-9-ol (CID 102351140) is 10-(diethylaminomethyl)phenanthren-9-ol.
What is the SMILES notation for 10-(diethylaminomethyl)phenanthren-9-ol?
The canonical SMILES for 10-(diethylaminomethyl)phenanthren-9-ol is CCN(CC)Cc1c(O)c2ccccc2c2ccccc12.
What is the InChIKey of 10-(diethylaminomethyl)phenanthren-9-ol?
The InChIKey is KIVDZMOSRBUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-20(4-2)13-18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)19(18)21/h5-12,21H,3-4,13H2,1-2H3.
What are the key properties of 10-(diethylaminomethyl)phenanthren-9-ol?
10-(diethylaminomethyl)phenanthren-9-ol has a molecular weight of 279.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(diethylaminomethyl)phenanthren-9-ol is sourced from PubChem (CID 102351140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).