4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine

C14H22ClNO2 — CID 62566151

IUPAC4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-17-11-9-16-8-4-5-10-18-12-13-6-2-3-7-14(13)15/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyWRXCSFURLTWPKW-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.87
Rot. Bonds10

About 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine

4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62566151) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
PubChem CID62566151
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-17-11-9-16-8-4-5-10-18-12-13-6-2-3-7-14(13)15/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyWRXCSFURLTWPKW-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.87
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

3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile
CID 106710373
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine (CID 62566151) is 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCOCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is WRXCSFURLTWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-17-11-9-16-8-4-5-10-18-12-13-6-2-3-7-14(13)15/h2-3,6-7,16H,4-5,8-12H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine?
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62566151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).