2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine

C17H20ClNO — CID 63459216

IUPAC2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
SMILESCCCc1ccc(OC(CN)c2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-5-13-8-10-14(11-9-13)20-17(12-19)15-6-3-4-7-16(15)18/h3-4,6-11,17H,2,5,12,19H2,1H3
InChIKeyGOQCJXQITQWJAT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.37
Rot. Bonds6

About 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine

2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine (PubChem CID 63459216) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
PubChem CID63459216
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
SMILESCCCc1ccc(OC(CN)c2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-5-13-8-10-14(11-9-13)20-17(12-19)15-6-3-4-7-16(15)18/h3-4,6-11,17H,2,5,12,19H2,1H3
InChIKeyGOQCJXQITQWJAT-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55022380
2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034
2-(2-chlorophenyl)-2-hexoxyethanamine
CID 55022815
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
CID 55022574
(4-propylphenyl) hypochlorite
CID 175330115
2-(4-butylphenoxy)-2-pyridin-2-ylethanamine
CID 115492282
[2-[2-amino-1-(2-chlorophenyl)ethoxy]phenyl]methanol
CID 63653081
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine (CID 63459216) is 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine is CCCc1ccc(OC(CN)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine?
The InChIKey is GOQCJXQITQWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-5-13-8-10-14(11-9-13)20-17(12-19)15-6-3-4-7-16(15)18/h3-4,6-11,17H,2,5,12,19H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine?
2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine is sourced from PubChem (CID 63459216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).