N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine

C14H19BrClNO — CID 114179259

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESClCC1CCCC1NCCOc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c15-12-4-2-5-13(9-12)18-8-7-17-14-6-1-3-11(14)10-16/h2,4-5,9,11,14,17H,1,3,6-8,10H2
InChIKeyUNHMHUNZMNZXNP-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine

N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine (PubChem CID 114179259) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
PubChem CID114179259
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESClCC1CCCC1NCCOc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c15-12-4-2-5-13(9-12)18-8-7-17-14-6-1-3-11(14)10-16/h2,4-5,9,11,14,17H,1,3,6-8,10H2
InChIKeyUNHMHUNZMNZXNP-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021328
N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
CID 64742220
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
3-[2-(3-bromophenoxy)ethylamino]piperidin-2-one
CID 55033106
1-[2-(3-bromophenoxy)ethyl]-2-chlorocycloheptane
CID 63459314
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
CID 62742075
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694319
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine (CID 114179259) is N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine is ClCC1CCCC1NCCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine?
The InChIKey is UNHMHUNZMNZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c15-12-4-2-5-13(9-12)18-8-7-17-14-6-1-3-11(14)10-16/h2,4-5,9,11,14,17H,1,3,6-8,10H2.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine?
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine has a molecular weight of 332.67 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine is sourced from PubChem (CID 114179259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).