2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine

C16H26ClNO — CID 83045052

IUPAC2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H26ClNO/c1-5-7-15(11-18-12(3)4)19-14-8-9-16(17)13(6-2)10-14/h8-10,12,15,18H,5-7,11H2,1-4H3
InChIKeySNUKRWGPHBYFEH-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.45
Rot. Bonds8

About 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83045052) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83045052
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H26ClNO/c1-5-7-15(11-18-12(3)4)19-14-8-9-16(17)13(6-2)10-14/h8-10,12,15,18H,5-7,11H2,1-4H3
InChIKeySNUKRWGPHBYFEH-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine (CID 83045052) is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is SNUKRWGPHBYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-15(11-18-12(3)4)19-14-8-9-16(17)13(6-2)10-14/h8-10,12,15,18H,5-7,11H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine?
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).