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

C15H22ClNO — CID 106202259

IUPAC1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-17-11(2)14-7-6-13(10-15(14)16)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3
InChIKeyHMOQAHSKNGKTFZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.19
Rot. Bonds7

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

1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine (PubChem CID 106202259) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
PubChem CID106202259
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-17-11(2)14-7-6-13(10-15(14)16)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3
InChIKeyHMOQAHSKNGKTFZ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367
1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
CID 106202263
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
CID 116792891
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
CID 64522368
1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
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-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64721082
1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine (CID 106202259) is 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCCC2CC2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is HMOQAHSKNGKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-17-11(2)14-7-6-13(10-15(14)16)18-9-8-12-4-5-12/h6-7,10-12,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 267.80 g/mol, XLogP of 4.19, 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-cyclopropylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 106202259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).