1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol

C16H22N2O — CID 43187919

IUPAC1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
SMILESCCN(CC(O)CNC)c1cccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-3-18(12-14(19)11-17-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,17,19H,3,11-12H2,1-2H3
InChIKeyZTGGNYOKQHYPRA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.25
Rot. Bonds6

About 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol

1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol (PubChem CID 43187919) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
PubChem CID43187919
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
SMILESCCN(CC(O)CNC)c1cccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-3-18(12-14(19)11-17-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,17,19H,3,11-12H2,1-2H3
InChIKeyZTGGNYOKQHYPRA-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
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
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
CID 64996339
1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
CID 43095261
3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol
CID 24896804
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol (CID 43187919) is 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol is CCN(CC(O)CNC)c1cccc2ccccc12.
What is the InChIKey of 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol?
The InChIKey is ZTGGNYOKQHYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-18(12-14(19)11-17-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,17,19H,3,11-12H2,1-2H3.
What are the key properties of 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol?
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 43187919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).