N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine

C15H24ClNO3 — CID 63056038

IUPACN-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1OCCOC(C)C
InChIInChI=1S/C15H24ClNO3/c1-12(2)19-8-9-20-15-5-4-14(16)10-13(15)11-17-6-7-18-3/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyPSISISIPBAOFET-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.88
Rot. Bonds10

About N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63056038) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID63056038
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC NameN-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1OCCOC(C)C
InChIInChI=1S/C15H24ClNO3/c1-12(2)19-8-9-20-15-5-4-14(16)10-13(15)11-17-6-7-18-3/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyPSISISIPBAOFET-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114856111
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
CID 114856955
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine (CID 63056038) is N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(Cl)ccc1OCCOC(C)C.
What is the InChIKey of N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is PSISISIPBAOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12(2)19-8-9-20-15-5-4-14(16)10-13(15)11-17-6-7-18-3/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 301.81 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).