N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

C17H20ClNO2 — CID 63071176

IUPACN-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyDISLAMVAWGHHDR-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.18
Rot. Bonds7

About N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (PubChem CID 63071176) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
PubChem CID63071176
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyDISLAMVAWGHHDR-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.18
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-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63550513
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
N-[[4-(3-chloro-4-fluorophenoxy)-3-methylphenyl]methyl]propan-1-amine
CID 63877804
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160781
2-(3-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367527
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (CID 63071176) is N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The InChIKey is DISLAMVAWGHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3.
What are the key properties of N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63071176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).