N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine

C15H24ClNO2 — CID 107891116

IUPACN-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCC(C)Oc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C15H24ClNO2/c1-4-6-12(2)19-15-13(7-5-8-14(15)16)11-17-9-10-18-3/h5,7-8,12,17H,4,6,9-11H2,1-3H3
InChIKeyGXBQWSBFAPQQKP-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.64
Rot. Bonds9

About N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine

N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 107891116) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
PubChem CID107891116
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC NameN-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCC(C)Oc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C15H24ClNO2/c1-4-6-12(2)19-15-13(7-5-8-14(15)16)11-17-9-10-18-3/h5,7-8,12,17H,4,6,9-11H2,1-3H3
InChIKeyGXBQWSBFAPQQKP-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.64
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

ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
CID 112610843
N-[(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107890952
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
N-[[3-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
CID 107891033
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]pentanoic acid
CID 83034882

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine (CID 107891116) is N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine is CCCC(C)Oc1c(Cl)cccc1CNCCOC.
What is the InChIKey of N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is GXBQWSBFAPQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-6-12(2)19-15-13(7-5-8-14(15)16)11-17-9-10-18-3/h5,7-8,12,17H,4,6,9-11H2,1-3H3.
What are the key properties of N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine?
N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 285.82 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 107891116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).