(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol

C16H22N2O — CID 2327108

IUPAC(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C)c2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-11,19H,1-5H3/t11-/m1/s1
InChIKeyFQSQSJQXIWCCID-LLVKDONJSA-N
MW258.36 g/mol
LogP3.03
Rot. Bonds3

About (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol

(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol (PubChem CID 2327108) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
PubChem CID2327108
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C)c2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-11,19H,1-5H3/t11-/m1/s1
InChIKeyFQSQSJQXIWCCID-LLVKDONJSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
CID 15890498
1-N,1-N,8-N,8-N,4-pentamethylnaphthalene-1,8-diamine
CID 15890494
4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 14437588
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
CID 54753234
1-N,1-N,8-N,8-N-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1,8-diamine
CID 56924972
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
(1S)-1-[6-(dimethylamino)-2-methyl-3-pyridinyl]ethanol
CID 124502267

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol?
The IUPAC name of (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol (CID 2327108) is (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol?
The canonical SMILES for (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol is C[C@@H](O)c1ccc(N(C)C)c2c(N(C)C)cccc12.
What is the InChIKey of (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol?
The InChIKey is FQSQSJQXIWCCID-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-11,19H,1-5H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol?
(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol is sourced from PubChem (CID 2327108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).