3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol

C14H17NO2 — CID 170828749

IUPAC3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9-6-7-12(14(17)13(16)8-15)11-5-3-2-4-10(9)11/h2-7,13-14,16-17H,8,15H2,1H3
InChIKeyBOGKNJBTWBEPRI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol

3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol (PubChem CID 170828749) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
PubChem CID170828749
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9-6-7-12(14(17)13(16)8-15)11-5-3-2-4-10(9)11/h2-7,13-14,16-17H,8,15H2,1H3
InChIKeyBOGKNJBTWBEPRI-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
S-[2,3-dihydroxy-3-(4-methylnaphthalen-1-yl)propyl] ethanethioate
CID 170822662
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol (CID 170828749) is 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN)c2ccccc12.
What is the InChIKey of 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The InChIKey is BOGKNJBTWBEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-6-7-12(14(17)13(16)8-15)11-5-3-2-4-10(9)11/h2-7,13-14,16-17H,8,15H2,1H3.
What are the key properties of 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol has a molecular weight of 231.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol is sourced from PubChem (CID 170828749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).