N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine

C15H22BrNO — CID 63045521

IUPACN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-9-17-11-12-7-8-15(14(16)10-12)18-13-5-3-4-6-13/h7-8,10,13,17H,2-6,9,11H2,1H3
InChIKeyIKCBFWCDYJAPGM-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.27
Rot. Bonds6

About N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine

N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine (PubChem CID 63045521) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
PubChem CID63045521
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-9-17-11-12-7-8-15(14(16)10-12)18-13-5-3-4-6-13/h7-8,10,13,17H,2-6,9,11H2,1H3
InChIKeyIKCBFWCDYJAPGM-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine (CID 63045521) is N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC2CCCC2)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine?
The InChIKey is IKCBFWCDYJAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-9-17-11-12-7-8-15(14(16)10-12)18-13-5-3-4-6-13/h7-8,10,13,17H,2-6,9,11H2,1H3.
What are the key properties of N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine?
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63045521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).