N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine

C14H19BrClNO — CID 66161355

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
SMILESClc1ccc(Br)c(CNCCOC2CCCC2)c1
InChIInChI=1S/C14H19BrClNO/c15-14-6-5-12(16)9-11(14)10-17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8,10H2
InChIKeyDVKLDNZPSLMCII-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.15
Rot. Bonds6

About N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine (PubChem CID 66161355) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
PubChem CID66161355
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
SMILESClc1ccc(Br)c(CNCCOC2CCCC2)c1
InChIInChI=1S/C14H19BrClNO/c15-14-6-5-12(16)9-11(14)10-17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8,10H2
InChIKeyDVKLDNZPSLMCII-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.15
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-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
CID 82926404
3-[(2-cyclopentyloxyethylamino)methyl]-4-fluorobenzonitrile
CID 55261259
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine (CID 66161355) is N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine is Clc1ccc(Br)c(CNCCOC2CCCC2)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine?
The InChIKey is DVKLDNZPSLMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c15-14-6-5-12(16)9-11(14)10-17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8,10H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine has a molecular weight of 332.67 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine is sourced from PubChem (CID 66161355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).