1-(4-chlorophenyl)-N-ethylpropan-2-amine

C11H16ClN — CID 526656

IUPAC1-(4-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyPRKDJWMNZDSUPT-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-chlorophenyl)-N-ethylpropan-2-amine

1-(4-chlorophenyl)-N-ethylpropan-2-amine (PubChem CID 526656) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethylpropan-2-amine
PubChem CID526656
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyPRKDJWMNZDSUPT-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethylpropan-2-amine (CID 526656) is 1-(4-chlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is PRKDJWMNZDSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethylpropan-2-amine?
1-(4-chlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 526656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).