N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine

C14H22ClNO2 — CID 65175905

IUPACN-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCCCOCC
InChIInChI=1S/C14H22ClNO2/c1-3-16-11-12-10-13(15)6-7-14(12)18-9-5-8-17-4-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3
InChIKeyPAQSWIJPNPILGL-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.25
Rot. Bonds9

About N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine

N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine (PubChem CID 65175905) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
PubChem CID65175905
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCCCOCC
InChIInChI=1S/C14H22ClNO2/c1-3-16-11-12-10-13(15)6-7-14(12)18-9-5-8-17-4-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3
InChIKeyPAQSWIJPNPILGL-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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

[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
5-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256565
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine (CID 65175905) is N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCCCOCC.
What is the InChIKey of N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine?
The InChIKey is PAQSWIJPNPILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-16-11-12-10-13(15)6-7-14(12)18-9-5-8-17-4-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine has a molecular weight of 271.79 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 65175905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).