N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

C14H19BrClNO — CID 114179240

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CCCC1CCl
InChIInChI=1S/C14H19BrClNO/c1-18-14-6-5-12(15)7-11(14)9-17-13-4-2-3-10(13)8-16/h5-7,10,13,17H,2-4,8-9H2,1H3
InChIKeyKYRJMDKYFNTVAM-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.95
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (PubChem CID 114179240) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
PubChem CID114179240
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CCCC1CCl
InChIInChI=1S/C14H19BrClNO/c1-18-14-6-5-12(15)7-11(14)9-17-13-4-2-3-10(13)8-16/h5-7,10,13,17H,2-4,8-9H2,1H3
InChIKeyKYRJMDKYFNTVAM-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615486
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710191
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (CID 114179240) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is COc1ccc(Br)cc1CNC1CCCC1CCl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The InChIKey is KYRJMDKYFNTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-18-14-6-5-12(15)7-11(14)9-17-13-4-2-3-10(13)8-16/h5-7,10,13,17H,2-4,8-9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine has a molecular weight of 332.67 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is sourced from PubChem (CID 114179240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).