2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol

C19H25NO — CID 79353109

IUPAC2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
SMILESCC(NC1C(C)(C)C1(C)C)c1ccc2ccccc2c1O
InChIInChI=1S/C19H25NO/c1-12(20-17-18(2,3)19(17,4)5)14-11-10-13-8-6-7-9-15(13)16(14)21/h6-12,17,20-21H,1-5H3
InChIKeySXSIRJAPALMGMS-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.63
Rot. Bonds3

About 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol

2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol (PubChem CID 79353109) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
PubChem CID79353109
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
SMILESCC(NC1C(C)(C)C1(C)C)c1ccc2ccccc2c1O
InChIInChI=1S/C19H25NO/c1-12(20-17-18(2,3)19(17,4)5)14-11-10-13-8-6-7-9-15(13)16(14)21/h6-12,17,20-21H,1-5H3
InChIKeySXSIRJAPALMGMS-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
CID 63360322
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol (CID 79353109) is 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol is CC(NC1C(C)(C)C1(C)C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol?
The InChIKey is SXSIRJAPALMGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12(20-17-18(2,3)19(17,4)5)14-11-10-13-8-6-7-9-15(13)16(14)21/h6-12,17,20-21H,1-5H3.
What are the key properties of 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol?
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol has a molecular weight of 283.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 79353109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).