2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine

C18H22ClNO — CID 115492276

IUPAC2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
SMILESCCCCc1ccc(OC(CN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-2-3-4-14-5-11-17(12-6-14)21-18(13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3
InChIKeyULUCVEKWMOUWBS-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.76
Rot. Bonds7

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

2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine (PubChem CID 115492276) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
PubChem CID115492276
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
SMILESCCCCc1ccc(OC(CN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-2-3-4-14-5-11-17(12-6-14)21-18(13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3
InChIKeyULUCVEKWMOUWBS-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
CID 115492332
2-(4-butylphenoxy)-2-pyridin-2-ylethanamine
CID 115492282
[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol
CID 70488911
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
CID 63459216
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine (CID 115492276) is 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine is CCCCc1ccc(OC(CN)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine?
The InChIKey is ULUCVEKWMOUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-3-4-14-5-11-17(12-6-14)21-18(13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3.
What are the key properties of 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine?
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 115492276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).