N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine

C14H21Cl2NO — CID 61169291

IUPACN-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCCCCOCCNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-4-8-18-9-7-17-11(2)13-10-12(15)5-6-14(13)16/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyMBNOOEJRBMDHOT-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.46
Rot. Bonds8

About N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine

N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 61169291) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID61169291
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCCCCOCCNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-4-8-18-9-7-17-11(2)13-10-12(15)5-6-14(13)16/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyMBNOOEJRBMDHOT-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63983384
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-butoxy-N-[2-(2,5-dichlorophenyl)sulfanylethyl]ethanamine
CID 63517902
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
N-[1-(2,5-dichlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63463879
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine (CID 61169291) is N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine is CCCCOCCNC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is MBNOOEJRBMDHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-4-8-18-9-7-17-11(2)13-10-12(15)5-6-14(13)16/h5-6,10-11,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine?
N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 61169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).