2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine

C14H22ClNO — CID 103984866

IUPAC2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
SMILESCCOCC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-17-10-12(9-16-11(2)3)13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyBKCAKGFRVQBZON-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.46
Rot. Bonds7

About 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine

2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103984866) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
PubChem CID103984866
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
SMILESCCOCC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-17-10-12(9-16-11(2)3)13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyBKCAKGFRVQBZON-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(1-ethoxypropan-2-yl)benzene
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2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
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(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
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3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine (CID 103984866) is 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine is CCOCC(CNC(C)C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is BKCAKGFRVQBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-17-10-12(9-16-11(2)3)13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine?
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).