N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine

C15H22BrNO — CID 62598188

IUPACN-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
SMILESCc1ccc(OCCCNC2CCCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-12-7-8-15(14(16)11-12)18-10-4-9-17-13-5-2-3-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeyXASDNIVMSPSBQF-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds6

About N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine

N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine (PubChem CID 62598188) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
PubChem CID62598188
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
SMILESCc1ccc(OCCCNC2CCCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-12-7-8-15(14(16)11-12)18-10-4-9-17-13-5-2-3-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeyXASDNIVMSPSBQF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.06
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-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[2-(2-bromo-4-methylphenoxy)ethyl]propan-1-amine
CID 29015180
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576
N-[3-(2-bromo-4-methylphenoxy)propyl]aniline
CID 63516517
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine (CID 62598188) is N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine is Cc1ccc(OCCCNC2CCCC2)c(Br)c1.
What is the InChIKey of N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine?
The InChIKey is XASDNIVMSPSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-7-8-15(14(16)11-12)18-10-4-9-17-13-5-2-3-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3.
What are the key properties of N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine?
N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine has a molecular weight of 312.25 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 62598188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).