2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine

C16H24ClNO — CID 105080697

IUPAC2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(C1CCCC1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-3-18-16(13-7-4-5-8-13)12(2)19-15-10-6-9-14(17)11-15/h6,9-13,16,18H,3-5,7-8H2,1-2H3
InChIKeyAKAPSSUQXVSKEP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.28
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine

2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 105080697) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
PubChem CID105080697
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(C1CCCC1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-3-18-16(13-7-4-5-8-13)12(2)19-15-10-6-9-14(17)11-15/h6,9-13,16,18H,3-5,7-8H2,1-2H3
InChIKeyAKAPSSUQXVSKEP-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
CID 105157730
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine (CID 105080697) is 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine is CCNC(C1CCCC1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is AKAPSSUQXVSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-16(13-7-4-5-8-13)12(2)19-15-10-6-9-14(17)11-15/h6,9-13,16,18H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine?
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 105080697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).