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

C17H20ClNO2 — CID 102939430

IUPACN-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCOCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-2-19-11-15-10-16(18)8-9-17(15)21-13-20-12-14-6-4-3-5-7-14/h3-10,19H,2,11-13H2,1H3
InChIKeyAGWMAZJJMAMTRJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.00
Rot. Bonds8

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

N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine (PubChem CID 102939430) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
PubChem CID102939430
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCOCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-2-19-11-15-10-16(18)8-9-17(15)21-13-20-12-14-6-4-3-5-7-14/h3-10,19H,2,11-13H2,1H3
InChIKeyAGWMAZJJMAMTRJ-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N',N'-dibutyl-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]propane-1,3-diamine
CID 17214610
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine (CID 102939430) is N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCOCc1ccccc1.
What is the InChIKey of N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine?
The InChIKey is AGWMAZJJMAMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-19-11-15-10-16(18)8-9-17(15)21-13-20-12-14-6-4-3-5-7-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 102939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).