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

C17H23NO — CID 62271078

IUPAC3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC(C)(C)CO)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-18(12-17(2,3)13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,19H,4,12-13H2,1-3H3
InChIKeyUGDVOPLHBUHLPA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.68
Rot. Bonds5

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

3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 62271078) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID62271078
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC(C)(C)CO)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-18(12-17(2,3)13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,19H,4,12-13H2,1-3H3
InChIKeyUGDVOPLHBUHLPA-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
CID 64996339
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 63467287
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
CID 43187919
potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745593
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
2-[[ethyl(naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 63495837

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol (CID 62271078) is 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol is CCN(CC(C)(C)CO)c1cccc2ccccc12.
What is the InChIKey of 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is UGDVOPLHBUHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18(12-17(2,3)13-19)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol?
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62271078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).