3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol

C14H18N2O — CID 116957742

IUPAC3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
SMILESCNC(c1ccc2ccccc2c1)C(O)CN
InChIInChI=1S/C14H18N2O/c1-16-14(13(17)9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14,16-17H,9,15H2,1H3
InChIKeyBKLHZKQHOSKGBV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol

3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol (PubChem CID 116957742) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
PubChem CID116957742
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
SMILESCNC(c1ccc2ccccc2c1)C(O)CN
InChIInChI=1S/C14H18N2O/c1-16-14(13(17)9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14,16-17H,9,15H2,1H3
InChIKeyBKLHZKQHOSKGBV-UHFFFAOYSA-N
XLogP1.42
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
amino(naphthalen-2-yl)methanol
CID 57110079
(2S)-3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204460
3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67203907
naphthalen-2-ylmethanediol
CID 22496827
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine
CID 116960090
(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 15472052
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol (CID 116957742) is 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol is CNC(c1ccc2ccccc2c1)C(O)CN.
What is the InChIKey of 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol?
The InChIKey is BKLHZKQHOSKGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-14(13(17)9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14,16-17H,9,15H2,1H3.
What are the key properties of 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol?
3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 116957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).