N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine

C14H22ClNO2 — CID 55093300

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCOc1cc(C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyLUILTBZRAWFGFO-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.04
Rot. Bonds9

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine

N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine (PubChem CID 55093300) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
PubChem CID55093300
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCOc1cc(C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyLUILTBZRAWFGFO-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine;oxalic acid
CID 44782341
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine (CID 55093300) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCOc1cc(C)ccc1Cl.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is LUILTBZRAWFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 55093300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).