N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine

C14H21Cl2NO — CID 63505082

IUPACN-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-12(5-2)17-9-10(3)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeyYXXYSGAVZHMVBU-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.54
Rot. Bonds7

About N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine

N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine (PubChem CID 63505082) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
PubChem CID63505082
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-12(5-2)17-9-10(3)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeyYXXYSGAVZHMVBU-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 67328064
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
3-(2,5-dichlorophenoxy)pentanethioamide
CID 43175286

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine?
The IUPAC name of N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine (CID 63505082) is N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine is CCC(CC)NCC(C)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine?
The InChIKey is YXXYSGAVZHMVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-4-12(5-2)17-9-10(3)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,4-5,9H2,1-3H3.
What are the key properties of N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine?
N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine has a molecular weight of 290.23 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine is sourced from PubChem (CID 63505082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).