2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

C15H23Cl2NO — CID 107309735

IUPAC2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-5-12(11-18-8-9-19-2)10-13-6-4-7-14(16)15(13)17/h4,6-7,12,18H,3,5,8-11H2,1-2H3
InChIKeyPLYCOEMAFGUPTM-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.19
Rot. Bonds9

About 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 107309735) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
PubChem CID107309735
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-5-12(11-18-8-9-19-2)10-13-6-4-7-14(16)15(13)17/h4,6-7,12,18H,3,5,8-11H2,1-2H3
InChIKeyPLYCOEMAFGUPTM-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (CID 107309735) is 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is PLYCOEMAFGUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-5-12(11-18-8-9-19-2)10-13-6-4-7-14(16)15(13)17/h4,6-7,12,18H,3,5,8-11H2,1-2H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 107309735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).