3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol

C15H20N2O — CID 170874748

IUPAC3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
SMILESCN(C)c1ccc(C(N)CCO)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(2)15-8-7-12(14(16)9-10-18)11-5-3-4-6-13(11)15/h3-8,14,18H,9-10,16H2,1-2H3
InChIKeyNOJSKKHUBARZKE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol

3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol (PubChem CID 170874748) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
PubChem CID170874748
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
SMILESCN(C)c1ccc(C(N)CCO)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(2)15-8-7-12(14(16)9-10-18)11-5-3-4-6-13(11)15/h3-8,14,18H,9-10,16H2,1-2H3
InChIKeyNOJSKKHUBARZKE-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
CID 171232475
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate
CID 101263579
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
3-amino-3-(2-tert-butylphenyl)propan-1-ol
CID 84779858
5-(1-amino-3-hydroxypropyl)-2-(dimethylamino)benzonitrile
CID 170875034
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol (CID 170874748) is 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol is CN(C)c1ccc(C(N)CCO)c2ccccc12.
What is the InChIKey of 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol?
The InChIKey is NOJSKKHUBARZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(2)15-8-7-12(14(16)9-10-18)11-5-3-4-6-13(11)15/h3-8,14,18H,9-10,16H2,1-2H3.
What are the key properties of 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol?
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol is sourced from PubChem (CID 170874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).