1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine

C19H19N3O — CID 18751970

IUPAC1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
SMILESCC(O)c1cccc(N/C(N)=N/c2cccc3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-13(23)15-8-4-9-16(12-15)21-19(20)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-13,23H,1H3,(H3,20,21,22)
InChIKeyIKAJEXYFJVFKBT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.95
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine

1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine (PubChem CID 18751970) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
PubChem CID18751970
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
SMILESCC(O)c1cccc(N/C(N)=N/c2cccc3ccccc23)c1
InChIInChI=1S/C19H19N3O/c1-13(23)15-8-4-9-16(12-15)21-19(20)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-13,23H,1H3,(H3,20,21,22)
InChIKeyIKAJEXYFJVFKBT-UHFFFAOYSA-N
XLogP3.95
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
[3-(1-hydroxyethyl)phenyl]thiourea
CID 87682391
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121814
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
CID 106098277
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
2-[2-(2-bromoethylsulfanyl)phenyl]-1-(3-methylsulfanylphenyl)guanidine
CID 54051754
2-[2-(2-chloroethylsulfanyl)phenyl]-1-(3-methylsulfanylphenyl)guanidine
CID 54302430
2-[2-(2-bromoethylsulfanyl)phenyl]-1-[3-(trifluoromethyl)phenyl]guanidine
CID 54570464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine (CID 18751970) is 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine is CC(O)c1cccc(N/C(N)=N/c2cccc3ccccc23)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine?
The InChIKey is IKAJEXYFJVFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(23)15-8-4-9-16(12-15)21-19(20)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-13,23H,1H3,(H3,20,21,22).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine?
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine has a molecular weight of 305.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine is sourced from PubChem (CID 18751970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).