1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine

C16H24ClNO — CID 63499775

IUPAC1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3
InChIKeyMSOOAZTZJISFTQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.58
Rot. Bonds6

About 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine

1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 63499775) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
PubChem CID63499775
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3
InChIKeyMSOOAZTZJISFTQ-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 62072702
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine (CID 63499775) is 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Cl)ccc1OCC1CCCC1.
What is the InChIKey of 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is MSOOAZTZJISFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-12(2)15-10-14(17)8-9-16(15)19-11-13-6-4-5-7-13/h8-10,12-13,18H,3-7,11H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine?
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63499775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).