N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine

C15H21Cl2NO — CID 62595688

IUPACN-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-19-9-8-18-11-15(6-2-3-7-15)13-5-4-12(16)10-14(13)17/h4-5,10,18H,2-3,6-9,11H2,1H3
InChIKeyJNKITVHIIQTJGJ-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.04
Rot. Bonds6

About N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine

N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine (PubChem CID 62595688) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
PubChem CID62595688
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-19-9-8-18-11-15(6-2-3-7-15)13-5-4-12(16)10-14(13)17/h4-5,10,18H,2-3,6-9,11H2,1H3
InChIKeyJNKITVHIIQTJGJ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.04
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

N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640
N-[[1-(2,4-dichlorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997475
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 63036176
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110939517
N-[[1-(2-chloro-4-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64999342
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine (CID 62595688) is N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccc(Cl)cc2Cl)CCCC1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine?
The InChIKey is JNKITVHIIQTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-19-9-8-18-11-15(6-2-3-7-15)13-5-4-12(16)10-14(13)17/h4-5,10,18H,2-3,6-9,11H2,1H3.
What are the key properties of N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine?
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine has a molecular weight of 302.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62595688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).