(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine

C15H24N2O2 — CID 163746108

IUPAC(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
SMILESCCC(CC)COc1cccc(C[C@@H](CN)N=O)c1
InChIInChI=1S/C15H24N2O2/c1-3-12(4-2)11-19-15-7-5-6-13(9-15)8-14(10-16)17-18/h5-7,9,12,14H,3-4,8,10-11,16H2,1-2H3/t14-/m0/s1
InChIKeyLMACZMWNTLRKCP-AWEZNQCLSA-N
MW264.37 g/mol
LogP3.14
Rot. Bonds9

About (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine

(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine (PubChem CID 163746108) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine.

Molecular Properties

Compound Name(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
PubChem CID163746108
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
SMILESCCC(CC)COc1cccc(C[C@@H](CN)N=O)c1
InChIInChI=1S/C15H24N2O2/c1-3-12(4-2)11-19-15-7-5-6-13(9-15)8-14(10-16)17-18/h5-7,9,12,14H,3-4,8,10-11,16H2,1-2H3/t14-/m0/s1
InChIKeyLMACZMWNTLRKCP-AWEZNQCLSA-N
XLogP3.14
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-(2-ethylbutoxy)-3-prop-1-ynylbenzene
CID 68859858

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine?
The IUPAC name of (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine (CID 163746108) is (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine.
What is the SMILES notation for (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine?
The canonical SMILES for (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine is CCC(CC)COc1cccc(C[C@@H](CN)N=O)c1.
What is the InChIKey of (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine?
The InChIKey is LMACZMWNTLRKCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(4-2)11-19-15-7-5-6-13(9-15)8-14(10-16)17-18/h5-7,9,12,14H,3-4,8,10-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine?
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine is sourced from PubChem (CID 163746108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).