1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine

C17H29NO — CID 116717972

IUPAC1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cccc(C)c1C
InChIInChI=1S/C17H29NO/c1-6-10-16(19-8-3)17(18-7-2)15-12-9-11-13(4)14(15)5/h9,11-12,16-18H,6-8,10H2,1-5H3
InChIKeyVVKVDMSNAZKKSN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds8

About 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine

1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine (PubChem CID 116717972) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
PubChem CID116717972
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cccc(C)c1C
InChIInChI=1S/C17H29NO/c1-6-10-16(19-8-3)17(18-7-2)15-12-9-11-13(4)14(15)5/h9,11-12,16-18H,6-8,10H2,1-5H3
InChIKeyVVKVDMSNAZKKSN-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616948
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
CID 114013619
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine (CID 116717972) is 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The InChIKey is VVKVDMSNAZKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-10-16(19-8-3)17(18-7-2)15-12-9-11-13(4)14(15)5/h9,11-12,16-18H,6-8,10H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 116717972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).