N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine

C17H20ClNO2 — CID 39438794

IUPACN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-20-10-9-19-12-14-5-7-17(8-6-14)21-13-15-3-2-4-16(18)11-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyRWOFJESZKGPZFG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.65
Rot. Bonds8

About N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 39438794) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID39438794
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-20-10-9-19-12-14-5-7-17(8-6-14)21-13-15-3-2-4-16(18)11-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyRWOFJESZKGPZFG-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063568
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
CID 11233153
N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 39438794) is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is RWOFJESZKGPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-20-10-9-19-12-14-5-7-17(8-6-14)21-13-15-3-2-4-16(18)11-15/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 39438794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).