N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine

C15H32ClNO — CID 114276306

IUPACN-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)CN(CCOCCCl)C(C)C
InChIInChI=1S/C15H32ClNO/c1-5-7-8-15(6-2)13-17(14(3)4)10-12-18-11-9-16/h14-15H,5-13H2,1-4H3
InChIKeyUBEJUAOONNOQPY-UHFFFAOYSA-N
MW277.88 g/mol
LogP4.17
Rot. Bonds12

About N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine

N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine (PubChem CID 114276306) has the molecular formula C15H32ClNO and a molecular weight of 277.88 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine
PubChem CID114276306
Molecular FormulaC15H32ClNO
Molecular Weight277.88 g/mol
Exact Mass277.22
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)CN(CCOCCCl)C(C)C
InChIInChI=1S/C15H32ClNO/c1-5-7-8-15(6-2)13-17(14(3)4)10-12-18-11-9-16/h14-15H,5-13H2,1-4H3
InChIKeyUBEJUAOONNOQPY-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.88
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[2-(2-chloroethoxy)ethyl]butan-1-amine
CID 63665042
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine
CID 175633647
N-(2-chloroethyl)-2-ethyl-N-methylhexan-1-amine
CID 63386815
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-2-amine
CID 63666470

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine (CID 114276306) is N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine is CCCCC(CC)CN(CCOCCCl)C(C)C.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is UBEJUAOONNOQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClNO/c1-5-7-8-15(6-2)13-17(14(3)4)10-12-18-11-9-16/h14-15H,5-13H2,1-4H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 277.88 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-ethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 114276306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).