1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine

C16H24ClNO — CID 106202367

IUPAC1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-3-18-12(2)15-8-7-14(11-16(15)17)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyTUJILHBNKQJNKM-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.58
Rot. Bonds7

About 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine

1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine (PubChem CID 106202367) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
PubChem CID106202367
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-3-18-12(2)15-8-7-14(11-16(15)17)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyTUJILHBNKQJNKM-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259
1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
CID 116792891
1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
CID 106202263
1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798135
1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954332
1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
CID 112587918
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine (CID 106202367) is 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCCC2CCC2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is TUJILHBNKQJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-12(2)15-8-7-14(11-16(15)17)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 106202367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).